2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine

C34H80N8 — CID 158243375

IUPAC2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine
SMILESC.C.CC(C)(N)C1CCNC1.CC(C)(N)C1CNC1.CCCCCN1CCC(C(C)(C)N)C1.CN1CC(C(C)(C)N)C1
InChIInChI=1S/C12H26N2.2C7H16N2.C6H14N2.2CH4/c1-4-5-6-8-14-9-7-11(10-14)12(2,3)13;1-7(2,8)6-4-9(3)5-6;1-7(2,8)6-3-4-9-5-6;1-6(2,7)5-3-8-4-5;;/h11H,4-10,13H2,1-3H3;6H,4-5,8H2,1-3H3;6,9H,3-5,8H2,1-2H3;5,8H,3-4,7H2,1-2H3;2*1H4
InChIKeyGFVAZLAGRWWESW-UHFFFAOYSA-N
MW601.07 g/mol
LogP4.07
Rot. Bonds8

About 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine

2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine (PubChem CID 158243375) has the molecular formula C34H80N8 and a molecular weight of 601.07 g/mol. Its IUPAC name is 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine.

Molecular Properties

Compound Name2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine
PubChem CID158243375
Molecular FormulaC34H80N8
Molecular Weight601.07 g/mol
Exact Mass600.65
IUPAC Name2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine
SMILESC.C.CC(C)(N)C1CCNC1.CC(C)(N)C1CNC1.CCCCCN1CCC(C(C)(C)N)C1.CN1CC(C(C)(C)N)C1
InChIInChI=1S/C12H26N2.2C7H16N2.C6H14N2.2CH4/c1-4-5-6-8-14-9-7-11(10-14)12(2,3)13;1-7(2,8)6-4-9(3)5-6;1-7(2,8)6-3-4-9-5-6;1-6(2,7)5-3-8-4-5;;/h11H,4-10,13H2,1-3H3;6H,4-5,8H2,1-3H3;6,9H,3-5,8H2,1-2H3;5,8H,3-4,7H2,1-2H3;2*1H4
InChIKeyGFVAZLAGRWWESW-UHFFFAOYSA-N
XLogP4.07
TPSA134.62 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.07
LogP ≤ 54.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine with MolForge

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Related Compounds

1-butyl-6-(trifluoromethyl)-1,4-diazepane
CID 103371843
2-[(3R)-1-methylpyrrolidin-3-yl]propan-2-amine
CID 59033358
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
butyl 2-methyl-2-pyrrolidin-3-ylpropanoate
CID 11564749
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
3-tert-butyl-1-heptylazetidine
CID 157310046
1-methyl-3-(5-methylnonan-5-yl)pyrrolidine
CID 170333732
1-hexyl-3,4,5-trimethylazepane
CID 130243666
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
CID 11641883

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine?
The IUPAC name of 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine (CID 158243375) is 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine.
What is the SMILES notation for 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine?
The canonical SMILES for 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine is C.C.CC(C)(N)C1CCNC1.CC(C)(N)C1CNC1.CCCCCN1CCC(C(C)(C)N)C1.CN1CC(C(C)(C)N)C1.
What is the InChIKey of 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine?
The InChIKey is GFVAZLAGRWWESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.2C7H16N2.C6H14N2.2CH4/c1-4-5-6-8-14-9-7-11(10-14)12(2,3)13;1-7(2,8)6-4-9(3)5-6;1-7(2,8)6-3-4-9-5-6;1-6(2,7)5-3-8-4-5;;/h11H,4-10,13H2,1-3H3;6H,4-5,8H2,1-3H3;6,9H,3-5,8H2,1-2H3;5,8H,3-4,7H2,1-2H3;2*1H4.
What are the key properties of 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine?
2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine has a molecular weight of 601.07 g/mol, XLogP of 4.07, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)propan-2-amine;methane;2-(1-methylazetidin-3-yl)propan-2-amine;2-(1-pentylpyrrolidin-3-yl)propan-2-amine;2-pyrrolidin-3-ylpropan-2-amine is sourced from PubChem (CID 158243375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).