4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

C18H31N3 — CID 102627963

IUPAC4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCCN(Cc1ccccn1)CC1CCC(N)C(C)C1(C)C
InChIInChI=1S/C18H31N3/c1-5-21(13-16-8-6-7-11-20-16)12-15-9-10-17(19)14(2)18(15,3)4/h6-8,11,14-15,17H,5,9-10,12-13,19H2,1-4H3
InChIKeyGVSDPGKAJQTVSW-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.30
Rot. Bonds5

About 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627963) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627963
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCCN(Cc1ccccn1)CC1CCC(N)C(C)C1(C)C
InChIInChI=1S/C18H31N3/c1-5-21(13-16-8-6-7-11-20-16)12-15-9-10-17(19)14(2)18(15,3)4/h6-8,11,14-15,17H,5,9-10,12-13,19H2,1-4H3
InChIKeyGVSDPGKAJQTVSW-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-(2,5-dihydropyridin-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91273459
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
2-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 80999490
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone
CID 113448877
N-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 59512202
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81170607
1-(aminomethyl)-N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 103563079

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627963) is 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CCN(Cc1ccccn1)CC1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is GVSDPGKAJQTVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21(13-16-8-6-7-11-20-16)12-15-9-10-17(19)14(2)18(15,3)4/h6-8,11,14-15,17H,5,9-10,12-13,19H2,1-4H3.
What are the key properties of 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).