N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine

C15H25N3 — CID 102879102

IUPACN'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cncc(CN(CCN)C2CCCCC2)c1
InChIInChI=1S/C15H25N3/c1-13-9-14(11-17-10-13)12-18(8-7-16)15-5-3-2-4-6-15/h9-11,15H,2-8,12,16H2,1H3
InChIKeyYYKCJWXHCKMMFA-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.48
Rot. Bonds5

About N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine

N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 102879102) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID102879102
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cncc(CN(CCN)C2CCCCC2)c1
InChIInChI=1S/C15H25N3/c1-13-9-14(11-17-10-13)12-18(8-7-16)15-5-3-2-4-6-15/h9-11,15H,2-8,12,16H2,1H3
InChIKeyYYKCJWXHCKMMFA-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine
CID 102878812
N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102880556
N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 102878934
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
2-[(5-methyl-3-pyridinyl)methyl-piperidin-4-ylamino]acetamide
CID 102877705
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine (CID 102879102) is N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine is Cc1cncc(CN(CCN)C2CCCCC2)c1.
What is the InChIKey of N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is YYKCJWXHCKMMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-9-14(11-17-10-13)12-18(8-7-16)15-5-3-2-4-6-15/h9-11,15H,2-8,12,16H2,1H3.
What are the key properties of N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102879102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).