N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine

C17H37N3 — CID 79313161

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
SMILESCCCNCCCCCCN(C)CC1CCCN1CC
InChIInChI=1S/C17H37N3/c1-4-12-18-13-8-6-7-9-14-19(3)16-17-11-10-15-20(17)5-2/h17-18H,4-16H2,1-3H3
InChIKeyIRISJDQQMHHCAI-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.96
Rot. Bonds12

About N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine

N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine (PubChem CID 79313161) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
PubChem CID79313161
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
SMILESCCCNCCCCCCN(C)CC1CCCN1CC
InChIInChI=1S/C17H37N3/c1-4-12-18-13-8-6-7-9-14-19(3)16-17-11-10-15-20(17)5-2/h17-18H,4-16H2,1-3H3
InChIKeyIRISJDQQMHHCAI-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-(propylamino)propane-1-sulfonamide
CID 79318230
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine (CID 79313161) is N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine is CCCNCCCCCCN(C)CC1CCCN1CC.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine?
The InChIKey is IRISJDQQMHHCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-4-12-18-13-8-6-7-9-14-19(3)16-17-11-10-15-20(17)5-2/h17-18H,4-16H2,1-3H3.
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine?
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.96, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine is sourced from PubChem (CID 79313161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).