4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine

C15H25N3 — CID 115149949

IUPAC4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine
SMILESCC(C)(CNC1CCC(N)CC1)c1cccnc1
InChIInChI=1S/C15H25N3/c1-15(2,12-4-3-9-17-10-12)11-18-14-7-5-13(16)6-8-14/h3-4,9-10,13-14,18H,5-8,11,16H2,1-2H3
InChIKeyPTRRTQLYEOXNLM-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.22
Rot. Bonds4

About 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine

4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine (PubChem CID 115149949) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine
PubChem CID115149949
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine
SMILESCC(C)(CNC1CCC(N)CC1)c1cccnc1
InChIInChI=1S/C15H25N3/c1-15(2,12-4-3-9-17-10-12)11-18-14-7-5-13(16)6-8-14/h3-4,9-10,13-14,18H,5-8,11,16H2,1-2H3
InChIKeyPTRRTQLYEOXNLM-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
2-methyl-2-pyridin-3-yl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 115209149
N-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2,2,4-trimethyl-4-pyridin-3-ylpentan-1-amine
CID 146668087
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
3-(2-cyclohexylpropan-2-yl)pyridine
CID 91076672
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine (CID 115149949) is 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine is CC(C)(CNC1CCC(N)CC1)c1cccnc1.
What is the InChIKey of 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine?
The InChIKey is PTRRTQLYEOXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,12-4-3-9-17-10-12)11-18-14-7-5-13(16)6-8-14/h3-4,9-10,13-14,18H,5-8,11,16H2,1-2H3.
What are the key properties of 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine?
4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 115149949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).