2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine

C19H40N2 — CID 79059350

IUPAC2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(C1CCC(CC)CC1)C(CC)(CC)N(C)C
InChIInChI=1S/C19H40N2/c1-7-15-20-18(19(9-3,10-4)21(5)6)17-13-11-16(8-2)12-14-17/h16-18,20H,7-15H2,1-6H3
InChIKeyVGAHVRVUDKHURG-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds9

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

2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 79059350) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
PubChem CID79059350
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(C1CCC(CC)CC1)C(CC)(CC)N(C)C
InChIInChI=1S/C19H40N2/c1-7-15-20-18(19(9-3,10-4)21(5)6)17-13-11-16(8-2)12-14-17/h16-18,20H,7-15H2,1-6H3
InChIKeyVGAHVRVUDKHURG-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063170
3-[cyclopropyl(hydrazinyl)methyl]-N,N-dimethylpentan-3-amine
CID 105241616
1-(4-ethylcyclohexyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79054004
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
2-ethyl-1-(3-ethylcyclohexyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061743
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778
4-(4-ethylcyclohexyl)-N-propylpentan-2-amine
CID 64774084
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493283
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
CID 64986880

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (CID 79059350) is 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is CCCNC(C1CCC(CC)CC1)C(CC)(CC)N(C)C.
What is the InChIKey of 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is VGAHVRVUDKHURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-15-20-18(19(9-3,10-4)21(5)6)17-13-11-16(8-2)12-14-17/h16-18,20H,7-15H2,1-6H3.
What are the key properties of 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylcyclohexyl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79059350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).