2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine

C15H32N2 — CID 62950046

IUPAC2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)CC(C)(C)C
InChIInChI=1S/C15H32N2/c1-15(2,3)10-14(11-16)17(4)12-13-8-6-5-7-9-13/h13-14H,5-12,16H2,1-4H3
InChIKeyOYVRDVOBQZICPR-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds5

About 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine

2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine (PubChem CID 62950046) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
PubChem CID62950046
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCN(CC1CCCCC1)C(CN)CC(C)(C)C
InChIInChI=1S/C15H32N2/c1-15(2,3)10-14(11-16)17(4)12-13-8-6-5-7-9-13/h13-14H,5-12,16H2,1-4H3
InChIKeyOYVRDVOBQZICPR-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
CID 63725413
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
CID 107397832
4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
CID 66427542
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64819128
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine (CID 62950046) is 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine is CN(CC1CCCCC1)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine?
The InChIKey is OYVRDVOBQZICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-15(2,3)10-14(11-16)17(4)12-13-8-6-5-7-9-13/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine?
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 62950046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).