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

C18H38N2 — CID 63466743

IUPAC2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCN(C)C1CC(C(C)(C)C)CCC1NCCC
InChIInChI=1S/C18H38N2/c1-7-9-13-20(6)17-14-15(18(3,4)5)10-11-16(17)19-12-8-2/h15-17,19H,7-14H2,1-6H3
InChIKeyCMEOYQRQXBWXFU-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds7

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

2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63466743) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID63466743
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCN(C)C1CC(C(C)(C)C)CCC1NCCC
InChIInChI=1S/C18H38N2/c1-7-9-13-20(6)17-14-15(18(3,4)5)10-11-16(17)19-12-8-2/h15-17,19H,7-14H2,1-6H3
InChIKeyCMEOYQRQXBWXFU-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 81035410
4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63469543
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
CID 82732254
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
4-tert-butyl-1-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)cyclohexane-1,2-diamine
CID 79842762
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 62984825
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine (CID 63466743) is 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine is CCCCN(C)C1CC(C(C)(C)C)CCC1NCCC.
What is the InChIKey of 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is CMEOYQRQXBWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-9-13-20(6)17-14-15(18(3,4)5)10-11-16(17)19-12-8-2/h15-17,19H,7-14H2,1-6H3.
What are the key properties of 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63466743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).