N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane

C19H38N2 — CID 161242864

IUPACN,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
SMILESC.CC.CC.CC1CCC(N(C)Cc2cccnc2)CC1
InChIInChI=1S/C14H22N2.2C2H6.CH4/c1-12-5-7-14(8-6-12)16(2)11-13-4-3-9-15-10-13;2*1-2;/h3-4,9-10,12,14H,5-8,11H2,1-2H3;2*1-2H3;1H4
InChIKeyVAFZBPGXGZSQQW-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.78
Rot. Bonds3

About N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane

N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane (PubChem CID 161242864) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane.

Molecular Properties

Compound NameN,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
PubChem CID161242864
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
SMILESC.CC.CC.CC1CCC(N(C)Cc2cccnc2)CC1
InChIInChI=1S/C14H22N2.2C2H6.CH4/c1-12-5-7-14(8-6-12)16(2)11-13-4-3-9-15-10-13;2*1-2;/h3-4,9-10,12,14H,5-8,11H2,1-2H3;2*1-2H3;1H4
InChIKeyVAFZBPGXGZSQQW-UHFFFAOYSA-N
XLogP5.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 115150222
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine
CID 64722799
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
CID 174532487
CID 174532487
tert-butyl (3R)-3-[methyl(pyridin-3-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647429
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane?
The IUPAC name of N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane (CID 161242864) is N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane.
What is the SMILES notation for N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane?
The canonical SMILES for N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane is C.CC.CC.CC1CCC(N(C)Cc2cccnc2)CC1.
What is the InChIKey of N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane?
The InChIKey is VAFZBPGXGZSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.2C2H6.CH4/c1-12-5-7-14(8-6-12)16(2)11-13-4-3-9-15-10-13;2*1-2;/h3-4,9-10,12,14H,5-8,11H2,1-2H3;2*1-2H3;1H4.
What are the key properties of N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane?
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane has a molecular weight of 294.53 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane is sourced from PubChem (CID 161242864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).