3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine

C16H27N3 — CID 65392904

IUPAC3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine
SMILESCCC1CCC(C(NC)c2c(C)ccnc2N)CC1
InChIInChI=1S/C16H27N3/c1-4-12-5-7-13(8-6-12)15(18-3)14-11(2)9-10-19-16(14)17/h9-10,12-13,15,18H,4-8H2,1-3H3,(H2,17,19)
InChIKeyCROFNUUOHFNOGW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds4

About 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine

3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine (PubChem CID 65392904) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine
PubChem CID65392904
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine
SMILESCCC1CCC(C(NC)c2c(C)ccnc2N)CC1
InChIInChI=1S/C16H27N3/c1-4-12-5-7-13(8-6-12)15(18-3)14-11(2)9-10-19-16(14)17/h9-10,12-13,15,18H,4-8H2,1-3H3,(H2,17,19)
InChIKeyCROFNUUOHFNOGW-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylcyclohexyl)-hydrazinylmethyl]-4-methylpyridin-2-amine
CID 105231546
4-methyl-3-[methylamino(oxolan-3-yl)methyl]pyridin-2-amine
CID 65329909
4-methyl-3-[methylamino(thiolan-2-yl)methyl]pyridin-2-amine
CID 80622489
4-methyl-3-[methylamino(thian-2-yl)methyl]pyridin-2-amine
CID 80627136
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
1-(4-ethylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64775844
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
[(4-ethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105313063
N-[(4-ethylcyclohexyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 64776463
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine (CID 65392904) is 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine is CCC1CCC(C(NC)c2c(C)ccnc2N)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
The InChIKey is CROFNUUOHFNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-12-5-7-13(8-6-12)15(18-3)14-11(2)9-10-19-16(14)17/h9-10,12-13,15,18H,4-8H2,1-3H3,(H2,17,19).
What are the key properties of 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine?
3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-(methylamino)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 65392904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).