N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine

C18H38N4 — CID 4712087

IUPACN,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
SMILESCN1CCC(NCCCCCCNC2CCN(C)CC2)CC1
InChIInChI=1S/C18H38N4/c1-21-13-7-17(8-14-21)19-11-5-3-4-6-12-20-18-9-15-22(2)16-10-18/h17-20H,3-16H2,1-2H3
InChIKeyRYNZOLKCLJHRCT-UHFFFAOYSA-N
MW310.53 g/mol
LogP1.91
Rot. Bonds9

About N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine

N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 4712087) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID4712087
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC NameN,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
SMILESCN1CCC(NCCCCCCNC2CCN(C)CC2)CC1
InChIInChI=1S/C18H38N4/c1-21-13-7-17(8-14-21)19-11-5-3-4-6-12-20-18-9-15-22(2)16-10-18/h17-20H,3-16H2,1-2H3
InChIKeyRYNZOLKCLJHRCT-UHFFFAOYSA-N
XLogP1.91
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
CID 104926411
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
CID 115230482
N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine (CID 4712087) is N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine is CN1CCC(NCCCCCCNC2CCN(C)CC2)CC1.
What is the InChIKey of N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is RYNZOLKCLJHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-21-13-7-17(8-14-21)19-11-5-3-4-6-12-20-18-9-15-22(2)16-10-18/h17-20H,3-16H2,1-2H3.
What are the key properties of N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine?
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 310.53 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 4712087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).