1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine

C15H32N2 — CID 62568386

IUPAC1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCCCCNCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-5-11-16-12-14(2)17(3)13-15-9-7-6-8-10-15/h14-16H,4-13H2,1-3H3
InChIKeyJXZITJNVQDNKQJ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds8

About 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine

1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62568386) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID62568386
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCCCCNCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-5-11-16-12-14(2)17(3)13-15-9-7-6-8-10-15/h14-16H,4-13H2,1-3H3
InChIKeyJXZITJNVQDNKQJ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
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

2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63502062
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
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
CID 107402162
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-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568202
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62856951
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine (CID 62568386) is 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine is CCCCNCC(C)N(C)CC1CCCCC1.
What is the InChIKey of 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is JXZITJNVQDNKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-5-11-16-12-14(2)17(3)13-15-9-7-6-8-10-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine?
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62568386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).