(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine

C14H22N2 — CID 64738631

IUPAC(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
SMILESCC1CCC(C(N)c2cccnc2)CC1C
InChIInChI=1S/C14H22N2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h3-4,7,9-12,14H,5-6,8,15H2,1-2H3
InChIKeyMYGXXMJYEOGCNK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.15
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine

(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine (PubChem CID 64738631) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
PubChem CID64738631
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
SMILESCC1CCC(C(N)c2cccnc2)CC1C
InChIInChI=1S/C14H22N2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h3-4,7,9-12,14H,5-6,8,15H2,1-2H3
InChIKeyMYGXXMJYEOGCNK-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
CID 64740038
(3,4-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methanamine
CID 105154454
(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64740034
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342
(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
CID 104989300
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine (CID 64738631) is (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine is CC1CCC(C(N)c2cccnc2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine?
The InChIKey is MYGXXMJYEOGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-5-6-12(8-11(10)2)14(15)13-4-3-7-16-9-13/h3-4,7,9-12,14H,5-6,8,15H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine?
(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 64738631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).