2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine

C16H34N2 — CID 63502062

IUPAC2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-5-9-12-17-13-15(2)18(3)14-16-10-7-6-8-11-16/h15-17H,4-14H2,1-3H3
InChIKeyVYILJRFQWGLWEG-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine

2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine (PubChem CID 63502062) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
PubChem CID63502062
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-5-9-12-17-13-15(2)18(3)14-16-10-7-6-8-11-16/h15-17H,4-14H2,1-3H3
InChIKeyVYILJRFQWGLWEG-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476
2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62568200
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
CID 107402162
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62856951
1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568202
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 55227224

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine (CID 63502062) is 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine is CCCCCNCC(C)N(C)CC1CCCCC1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
The InChIKey is VYILJRFQWGLWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-5-9-12-17-13-15(2)18(3)14-16-10-7-6-8-11-16/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 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-methyl-1-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 63502062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).