2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine

C15H32N2 — CID 54948148

IUPAC2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
SMILESCCC1CCC(N(C)C(CC)(CC)CN)CC1
InChIInChI=1S/C15H32N2/c1-5-13-8-10-14(11-9-13)17(4)15(6-2,7-3)12-16/h13-14H,5-12,16H2,1-4H3
InChIKeyOCWAPLVIHANQLI-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds6

About 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine

2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine (PubChem CID 54948148) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
PubChem CID54948148
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
SMILESCCC1CCC(N(C)C(CC)(CC)CN)CC1
InChIInChI=1S/C15H32N2/c1-5-13-8-10-14(11-9-13)17(4)15(6-2,7-3)12-16/h13-14H,5-12,16H2,1-4H3
InChIKeyOCWAPLVIHANQLI-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-ethylcyclohexyl)-2-N,2-dimethylpentane-1,2-diamine
CID 54948149
2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 62260394
1-(4-ethylcyclohexyl)-1-methylurea
CID 61449062
ethanamine;ethylcyclopropane
CID 70018487
2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867517
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
2-ethyl-2-N-methyl-2-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82735147
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
CID 63947157
2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 54948197
2-N-cyclopropyl-2-ethyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 114996634
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
2-benzyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 79008803

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine (CID 54948148) is 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine is CCC1CCC(N(C)C(CC)(CC)CN)CC1.
What is the InChIKey of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
The InChIKey is OCWAPLVIHANQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-13-8-10-14(11-9-13)17(4)15(6-2,7-3)12-16/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine?
2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 54948148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).