N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine

C27H54N2 — CID 158648176

IUPACN'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine
SMILESCN(CCCCCCNC1CC(C)(C)CC(C)(C)C1)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C27H54N2/c1-24(2)16-22(17-25(3,4)20-24)28-14-12-10-11-13-15-29(9)23-18-26(5,6)21-27(7,8)19-23/h22-23,28H,10-21H2,1-9H3
InChIKeyGGFRNBPPTSSKLQ-UHFFFAOYSA-N
MW406.74 g/mol
LogP7.28
Rot. Bonds9

About N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine

N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine (PubChem CID 158648176) has the molecular formula C27H54N2 and a molecular weight of 406.74 g/mol. Its IUPAC name is N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine
PubChem CID158648176
Molecular FormulaC27H54N2
Molecular Weight406.74 g/mol
Exact Mass406.43
IUPAC NameN'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine
SMILESCN(CCCCCCNC1CC(C)(C)CC(C)(C)C1)C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C27H54N2/c1-24(2)16-22(17-25(3,4)20-24)28-14-12-10-11-13-15-29(9)23-18-26(5,6)21-27(7,8)19-23/h22-23,28H,10-21H2,1-9H3
InChIKeyGGFRNBPPTSSKLQ-UHFFFAOYSA-N
XLogP7.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
Di(3,3,5-trimethylcyclohexyl)amine
CID 237388
3-(2,2-dimethylpropyl)-3-ethyl-1-N-(4-fluoro-3-methylcyclohexyl)-1-N-hexyl-2-N,5,5-trimethylhexane-1,2-diamine
CID 134286891
N-cyclohexyl-4,4-dimethylcyclohexan-1-amine
CID 64415665
3,3,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43434417
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine
CID 90674840
3,3,5,5-tetramethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 115998807
N',N'-diethyl-N-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 338131
Isopropyl-[3-(isopropylamino-methyl)-3,5,5-trimethyl-cyclohexyl]-amine
CID 12546507
3,3,5-Trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine
CID 15430966
Azane;3,3,5-trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine
CID 17787546
3,3,5-Trimethyl-5-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 17800431

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine?
The IUPAC name of N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine (CID 158648176) is N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine is CN(CCCCCCNC1CC(C)(C)CC(C)(C)C1)C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine?
The InChIKey is GGFRNBPPTSSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2/c1-24(2)16-22(17-25(3,4)20-24)28-14-12-10-11-13-15-29(9)23-18-26(5,6)21-27(7,8)19-23/h22-23,28H,10-21H2,1-9H3.
What are the key properties of N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine?
N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine has a molecular weight of 406.74 g/mol, XLogP of 7.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N,N'-bis(3,3,5,5-tetramethylcyclohexyl)hexane-1,6-diamine is sourced from PubChem (CID 158648176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).