N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine

C14H30N2 — CID 115905500

IUPACN-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCC1CCN(CCC)C1
InChIInChI=1S/C14H30N2/c1-4-7-14(6-3)15-11-13-8-10-16(12-13)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyQEGZIAUPWVBVMS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine

N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine (PubChem CID 115905500) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
PubChem CID115905500
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCC1CCN(CCC)C1
InChIInChI=1S/C14H30N2/c1-4-7-14(6-3)15-11-13-8-10-16(12-13)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyQEGZIAUPWVBVMS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 115712049
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
4-(1-propylpyrrolidin-3-yl)butan-2-amine
CID 83981036
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
CID 82109941

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine?
The IUPAC name of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine (CID 115905500) is N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine?
The canonical SMILES for N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine is CCCC(CC)NCC1CCN(CCC)C1.
What is the InChIKey of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine?
The InChIKey is QEGZIAUPWVBVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-7-14(6-3)15-11-13-8-10-16(12-13)9-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine?
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrolidin-3-yl)methyl]hexan-3-amine is sourced from PubChem (CID 115905500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).