2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine

C16H34N2 — CID 63466576

IUPAC2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCN(CC)C1CC(C)CCC1NCCC
InChIInChI=1S/C16H34N2/c1-5-8-12-18(7-3)16-13-14(4)9-10-15(16)17-11-6-2/h14-17H,5-13H2,1-4H3
InChIKeyVZJUZSUIPDNNNB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine

2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63466576) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID63466576
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCN(CC)C1CC(C)CCC1NCCC
InChIInChI=1S/C16H34N2/c1-5-8-12-18(7-3)16-13-14(4)9-10-15(16)17-11-6-2/h14-17H,5-13H2,1-4H3
InChIKeyVZJUZSUIPDNNNB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469605
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 62984825
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 63469797
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
CID 63467595
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 63683283

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine (CID 63466576) is 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine is CCCCN(CC)C1CC(C)CCC1NCCC.
What is the InChIKey of 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is VZJUZSUIPDNNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-8-12-18(7-3)16-13-14(4)9-10-15(16)17-11-6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine?
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63466576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).