N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine

C16H27N3 — CID 81248305

IUPACN-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
SMILESCCNCc1cnccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H27N3/c1-3-17-11-15-12-18-10-9-16(15)19(2)13-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11,13H2,1-2H3
InChIKeyKYPMNKXLTKNBFN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds6

About N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine

N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine (PubChem CID 81248305) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
PubChem CID81248305
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
SMILESCCNCc1cnccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H27N3/c1-3-17-11-15-12-18-10-9-16(15)19(2)13-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11,13H2,1-2H3
InChIKeyKYPMNKXLTKNBFN-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[cyclopentylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 81237899
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
CID 104624549
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
3-(ethylaminomethyl)-N-methyl-N-(2-phenylethyl)pyridin-4-amine
CID 81248283
N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
CID 63630730

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine (CID 81248305) is N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine is CCNCc1cnccc1N(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine?
The InChIKey is KYPMNKXLTKNBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-17-11-15-12-18-10-9-16(15)19(2)13-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11,13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine?
N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 81248305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).