ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine

C13H30N2 — CID 145006733

IUPACethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine
SMILESCC.CC(C)N1CC(CCCCCN)C1
InChIInChI=1S/C11H24N2.C2H6/c1-10(2)13-8-11(9-13)6-4-3-5-7-12;1-2/h10-11H,3-9,12H2,1-2H3;1-2H3
InChIKeyBDSWWLWXHMKXPQ-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds6

About ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine

ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine (PubChem CID 145006733) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine.

Molecular Properties

Compound Nameethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine
PubChem CID145006733
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nameethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine
SMILESCC.CC(C)N1CC(CCCCCN)C1
InChIInChI=1S/C11H24N2.C2H6/c1-10(2)13-8-11(9-13)6-4-3-5-7-12;1-2/h10-11H,3-9,12H2,1-2H3;1-2H3
InChIKeyBDSWWLWXHMKXPQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
CID 176760635
3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)propan-1-amine
CID 165404477
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
4-octyl-1-propan-2-ylpiperidine
CID 167231286
4-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 130204198
6-cyclohexylhexan-1-amine
CID 19875455
5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83989059
4-(4,5-dihydro-3H-pyrazol-4-yl)butan-1-amine
CID 90688119

Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine?
The IUPAC name of ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine (CID 145006733) is ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine.
What is the SMILES notation for ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine?
The canonical SMILES for ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine is CC.CC(C)N1CC(CCCCCN)C1.
What is the InChIKey of ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine?
The InChIKey is BDSWWLWXHMKXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C2H6/c1-10(2)13-8-11(9-13)6-4-3-5-7-12;1-2/h10-11H,3-9,12H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine?
ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine is sourced from PubChem (CID 145006733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).