2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine

C14H30N2 — CID 79188205

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CC(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-14(9-15)16-10-12(2)13(3)11-16/h12-14H,4-11,15H2,1-3H3
InChIKeyDICWDMHGIWTVKH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds7

About 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine

2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine (PubChem CID 79188205) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
PubChem CID79188205
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CC(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-8-14(9-15)16-10-12(2)13(3)11-16/h12-14H,4-11,15H2,1-3H3
InChIKeyDICWDMHGIWTVKH-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
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-(azocan-1-yl)nonan-1-amine
CID 43130470
(1-tridecan-6-ylazetidin-3-yl)methanamine
CID 134177714
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
2-thiomorpholin-4-ylheptan-1-amine
CID 43130462
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)nonan-1-amine
CID 43620229
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-imidazolidin-1-ylnonadecan-1-amine
CID 70543181
2-(4,4-diethylpiperidin-1-yl)octan-1-amine
CID 55192466
2-(2-methylpyrrolidin-1-yl)octan-1-amine
CID 60975076
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine (CID 79188205) is 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine is CCCCCCC(CN)N1CC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine?
The InChIKey is DICWDMHGIWTVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-7-8-14(9-15)16-10-12(2)13(3)11-16/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine?
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine is sourced from PubChem (CID 79188205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).