2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine

C15H25N3 — CID 64722799

IUPAC2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine
SMILESCC1CC(C)C(N(C)Cc2cccnc2)C(N)C1
InChIInChI=1S/C15H25N3/c1-11-7-12(2)15(14(16)8-11)18(3)10-13-5-4-6-17-9-13/h4-6,9,11-12,14-15H,7-8,10,16H2,1-3H3
InChIKeyXXQFVKVHOWVIJX-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.28
Rot. Bonds3

About 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine

2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 64722799) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine
PubChem CID64722799
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine
SMILESCC1CC(C)C(N(C)Cc2cccnc2)C(N)C1
InChIInChI=1S/C15H25N3/c1-11-7-12(2)15(14(16)8-11)18(3)10-13-5-4-6-17-9-13/h4-6,9,11-12,14-15H,7-8,10,16H2,1-3H3
InChIKeyXXQFVKVHOWVIJX-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 79569163
CID 174532487
CID 174532487
(11S)-11-[methyl(pyridin-3-ylmethyl)amino]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
CID 73355416
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
4-[methyl(pyridin-3-ylmethyl)amino]pyrrolidin-3-ol
CID 63701594
4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79210443
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
2-[methyl(pyridin-3-ylmethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63068622
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173

Frequently Asked Questions

What is the IUPAC name of 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine (CID 64722799) is 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine is CC1CC(C)C(N(C)Cc2cccnc2)C(N)C1.
What is the InChIKey of 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is XXQFVKVHOWVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-7-12(2)15(14(16)8-11)18(3)10-13-5-4-6-17-9-13/h4-6,9,11-12,14-15H,7-8,10,16H2,1-3H3.
What are the key properties of 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine?
2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,5-trimethyl-2-N-(pyridin-3-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 64722799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).