3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine

C19H40N2 — CID 63467967

IUPAC3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(C)C1CCC(CC)CC1
InChIInChI=1S/C19H40N2/c1-6-10-18(20-15-7-2)19(9-4)21(5)17-13-11-16(8-3)12-14-17/h16-20H,6-15H2,1-5H3
InChIKeyYTEVZDSMXFBFFZ-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.83
Rot. Bonds10

About 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine

3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine (PubChem CID 63467967) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine
PubChem CID63467967
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine
SMILESCCCNC(CCC)C(CC)N(C)C1CCC(CC)CC1
InChIInChI=1S/C19H40N2/c1-6-10-18(20-15-7-2)19(9-4)21(5)17-13-11-16(8-3)12-14-17/h16-20H,6-15H2,1-5H3
InChIKeyYTEVZDSMXFBFFZ-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine
CID 63470267
3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]-4-N-propylheptane-3,4-diamine
CID 55258814
ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825628
3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol
CID 113459480
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 105414347
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
CID 106201007
3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine
CID 61437065
1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
CID 62411796
3-N-ethyl-3-N-(2-methylbutyl)-4-N-propylheptane-3,4-diamine
CID 79476940
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 63490991

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine?
The IUPAC name of 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine (CID 63467967) is 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine.
What is the SMILES notation for 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine?
The canonical SMILES for 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine is CCCNC(CCC)C(CC)N(C)C1CCC(CC)CC1.
What is the InChIKey of 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine?
The InChIKey is YTEVZDSMXFBFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-10-18(20-15-7-2)19(9-4)21(5)17-13-11-16(8-3)12-14-17/h16-20H,6-15H2,1-5H3.
What are the key properties of 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine?
3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylcyclohexyl)-3-N-methyl-4-N-propylheptane-3,4-diamine is sourced from PubChem (CID 63467967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).