N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine

C13H28N2 — CID 64747486

IUPACN'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)C1CCC(CC)CC1
InChIInChI=1S/C13H28N2/c1-3-10-15(11-9-14)13-7-5-12(4-2)6-8-13/h12-13H,3-11,14H2,1-2H3
InChIKeyGOGBZSWXSJIKFY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine

N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine (PubChem CID 64747486) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine
PubChem CID64747486
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)C1CCC(CC)CC1
InChIInChI=1S/C13H28N2/c1-3-10-15(11-9-14)13-7-5-12(4-2)6-8-13/h12-13H,3-11,14H2,1-2H3
InChIKeyGOGBZSWXSJIKFY-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine
CID 107494416
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
ethanamine;ethylcyclopropane
CID 70018487
N-(4-ethylcyclohexyl)-N-propylazetidin-3-amine
CID 66183278
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N,N-dipropylcyclodecanamine
CID 139723962
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
CID 79111807
N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
CID 81080581

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine (CID 64747486) is N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine is CCCN(CCN)C1CCC(CC)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine?
The InChIKey is GOGBZSWXSJIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-10-15(11-9-14)13-7-5-12(4-2)6-8-13/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine?
N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 64747486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).