1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine

C14H30N2 — CID 67799201

IUPAC1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine
SMILESCCCCCC(NC)N(C)C1CCCCC1
InChIInChI=1S/C14H30N2/c1-4-5-7-12-14(15-2)16(3)13-10-8-6-9-11-13/h13-15H,4-12H2,1-3H3
InChIKeyUNGSJLIAZVMNSH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.38
Rot. Bonds7

About 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine

1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine (PubChem CID 67799201) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine.

Molecular Properties

Compound Name1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine
PubChem CID67799201
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine
SMILESCCCCCC(NC)N(C)C1CCCCC1
InChIInChI=1S/C14H30N2/c1-4-5-7-12-14(15-2)16(3)13-10-8-6-9-11-13/h13-15H,4-12H2,1-3H3
InChIKeyUNGSJLIAZVMNSH-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
N-heptan-2-ylcycloheptanamine
CID 43082272
2-N-cyclohexyl-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83043219
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
[2-butylpentadecyl(methyl)amino]-tris[cyclohexyl(methyl)amino]phosphanium
CID 169029575
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclohexylsulfanyl-N-methyloctan-2-amine
CID 65139910

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine?
The IUPAC name of 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine (CID 67799201) is 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine.
What is the SMILES notation for 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine?
The canonical SMILES for 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine is CCCCCC(NC)N(C)C1CCCCC1.
What is the InChIKey of 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine?
The InChIKey is UNGSJLIAZVMNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-7-12-14(15-2)16(3)13-10-8-6-9-11-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine?
1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclohexyl-1-N,1-N'-dimethylhexane-1,1-diamine is sourced from PubChem (CID 67799201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).