1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine

C14H30N2 — CID 137443011

IUPAC1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine
SMILESCC(C)CNC1(NCC(C)C)CCCCC1
InChIInChI=1S/C14H30N2/c1-12(2)10-15-14(16-11-13(3)4)8-6-5-7-9-14/h12-13,15-16H,5-11H2,1-4H3
InChIKeyWRYMVLVUFPLSTL-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.14
Rot. Bonds6

About 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine

1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine (PubChem CID 137443011) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine
PubChem CID137443011
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine
SMILESCC(C)CNC1(NCC(C)C)CCCCC1
InChIInChI=1S/C14H30N2/c1-12(2)10-15-14(16-11-13(3)4)8-6-5-7-9-14/h12-13,15-16H,5-11H2,1-4H3
InChIKeyWRYMVLVUFPLSTL-UHFFFAOYSA-N
XLogP3.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Isobutylcyclohexylamine
CID 84918
N,N'-dimethylcyclohexanediamine
CID 19820140
N,N'-dipropylcyclohexanediamine
CID 129668820
[1-(Ethylamino)cyclohexyl]cyanamide
CID 264805
N'-cyclohexyl-2-methylbutane-1,4-diamine
CID 11542887
N-methyl-1-piperidin-1-ylcyclohexan-1-amine
CID 17976084
1-N'-(1-aminoethyl)-1-N'-cyclohexylethane-1,1-diamine
CID 18000446
1-N,1-N'-ditert-butylcyclohexane-1,1-diamine
CID 18667872
1-N'-cyclohexylethane-1,1-diamine
CID 18789773
1-N'-cyclohexylbutane-1,1-diamine
CID 20220257
1-N,1-N'-dicyclohexylethane-1,1-diamine
CID 20594547
1-N'-cyclohexylpropane-1,1-diamine;hydrochloride
CID 21332734

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine (CID 137443011) is 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine is CC(C)CNC1(NCC(C)C)CCCCC1.
What is the InChIKey of 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine?
The InChIKey is WRYMVLVUFPLSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)10-15-14(16-11-13(3)4)8-6-5-7-9-14/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine?
1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine is sourced from PubChem (CID 137443011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).