4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

C15H25N3 — CID 79112211

IUPAC4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESCCCN(Cc1cccnc1)C1CCC(N)CC1
InChIInChI=1S/C15H25N3/c1-2-10-18(12-13-4-3-9-17-11-13)15-7-5-14(16)6-8-15/h3-4,9,11,14-15H,2,5-8,10,12,16H2,1H3
InChIKeyYBCNKXWESYXINQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.56
Rot. Bonds5

About 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 79112211) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
PubChem CID79112211
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESCCCN(Cc1cccnc1)C1CCC(N)CC1
InChIInChI=1S/C15H25N3/c1-2-10-18(12-13-4-3-9-17-11-13)15-7-5-14(16)6-8-15/h3-4,9,11,14-15H,2,5-8,10,12,16H2,1H3
InChIKeyYBCNKXWESYXINQ-UHFFFAOYSA-N
XLogP2.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113027
4-N-[(3,5-dichlorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112363
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111703

Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (CID 79112211) is 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is CCCN(Cc1cccnc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is YBCNKXWESYXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-10-18(12-13-4-3-9-17-11-13)15-7-5-14(16)6-8-15/h3-4,9,11,14-15H,2,5-8,10,12,16H2,1H3.
What are the key properties of 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79112211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).