N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine

C36H74N2 — CID 70916013

IUPACN-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
SMILESCCCCCCCCC1CC(CCCCCCNC)C(CCCCCCNC)CC1CCCCCCCC
InChIInChI=1S/C36H74N2/c1-5-7-9-11-13-19-25-33-31-35(27-21-15-17-23-29-37-3)36(28-22-16-18-24-30-38-4)32-34(33)26-20-14-12-10-8-6-2/h33-38H,5-32H2,1-4H3
InChIKeyTZGWBSOLXYSNCR-UHFFFAOYSA-N
MW535.00 g/mol
LogP11.09
Rot. Bonds28

About N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine

N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine (PubChem CID 70916013) has the molecular formula C36H74N2 and a molecular weight of 535.00 g/mol. Its IUPAC name is N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
PubChem CID70916013
Molecular FormulaC36H74N2
Molecular Weight535.00 g/mol
Exact Mass534.59
IUPAC NameN-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
SMILESCCCCCCCCC1CC(CCCCCCNC)C(CCCCCCNC)CC1CCCCCCCC
InChIInChI=1S/C36H74N2/c1-5-7-9-11-13-19-25-33-31-35(27-21-15-17-23-29-37-3)36(28-22-16-18-24-30-38-4)32-34(33)26-20-14-12-10-8-6-2/h33-38H,5-32H2,1-4H3
InChIKeyTZGWBSOLXYSNCR-UHFFFAOYSA-N
XLogP11.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 511.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine with MolForge

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
N-[6-[(1S,2R)-2-[6-(ethylamino)hexyl]cyclopropyl]hexyl]undecan-1-amine
CID 58260275
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
N-methyltriacontan-1-amine
CID 19840895
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
N-methyl-N'-[[(2S)-2-[[4-(pentylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 145475457
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine?
The IUPAC name of N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine (CID 70916013) is N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine.
What is the SMILES notation for N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine?
The canonical SMILES for N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine is CCCCCCCCC1CC(CCCCCCNC)C(CCCCCCNC)CC1CCCCCCCC.
What is the InChIKey of N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine?
The InChIKey is TZGWBSOLXYSNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N2/c1-5-7-9-11-13-19-25-33-31-35(27-21-15-17-23-29-37-3)36(28-22-16-18-24-30-38-4)32-34(33)26-20-14-12-10-8-6-2/h33-38H,5-32H2,1-4H3.
What are the key properties of N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine?
N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine has a molecular weight of 535.00 g/mol, XLogP of 11.09, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine is sourced from PubChem (CID 70916013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).