4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine

C18H37N3 — CID 107910875

IUPAC4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCC2CCCCN2C)CC1
InChIInChI=1S/C18H37N3/c1-4-13-19-16-8-10-18(11-9-16)21(3)15-12-17-7-5-6-14-20(17)2/h16-19H,4-15H2,1-3H3
InChIKeyYTVUWUJHCXCGAQ-UHFFFAOYSA-N
MW295.52 g/mol
LogP3.10
Rot. Bonds7

About 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine (PubChem CID 107910875) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
PubChem CID107910875
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCC2CCCCN2C)CC1
InChIInChI=1S/C18H37N3/c1-4-13-19-16-8-10-18(11-9-16)21(3)15-12-17-7-5-6-14-20(17)2/h16-19H,4-15H2,1-3H3
InChIKeyYTVUWUJHCXCGAQ-UHFFFAOYSA-N
XLogP3.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 62416677
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 107913673
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
CID 78823735
1-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-amine
CID 60694644
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine
CID 79618510
4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 112587794
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine (CID 107910875) is 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)CCC2CCCCN2C)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is YTVUWUJHCXCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-13-19-16-8-10-18(11-9-16)21(3)15-12-17-7-5-6-14-20(17)2/h16-19H,4-15H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 295.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 107910875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).