N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

C15H24ClN3 — CID 54880422

IUPACN-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1ncccc1Cl)C1CCCCC1
InChIInChI=1S/C15H24ClN3/c1-19(13-7-3-2-4-8-13)12-6-11-18-15-14(16)9-5-10-17-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,17,18)
InChIKeyDUZDCCAUGTWJQE-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.80
Rot. Bonds6

About N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (PubChem CID 54880422) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
PubChem CID54880422
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1ncccc1Cl)C1CCCCC1
InChIInChI=1S/C15H24ClN3/c1-19(13-7-3-2-4-8-13)12-6-11-18-15-14(16)9-5-10-17-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,17,18)
InChIKeyDUZDCCAUGTWJQE-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193011
5-chloro-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
CID 136974275
3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
CID 80515860
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 51890557
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 61313714
N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 114156444

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (CID 54880422) is N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is CN(CCCNc1ncccc1Cl)C1CCCCC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The InChIKey is DUZDCCAUGTWJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-19(13-7-3-2-4-8-13)12-6-11-18-15-14(16)9-5-10-17-15/h5,9-10,13H,2-4,6-8,11-12H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine has a molecular weight of 281.83 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 54880422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).