N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine

C12H17ClN2 — CID 105157249

IUPACN-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1Cl)C1CC1
InChIInChI=1S/C12H17ClN2/c1-2-6-15-12(9-3-4-9)10-5-7-14-8-11(10)13/h5,7-9,12,15H,2-4,6H2,1H3
InChIKeySRLASDOMBURONZ-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.19
Rot. Bonds5

About N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine

N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine (PubChem CID 105157249) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
PubChem CID105157249
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1Cl)C1CC1
InChIInChI=1S/C12H17ClN2/c1-2-6-15-12(9-3-4-9)10-5-7-14-8-11(10)13/h5,7-9,12,15H,2-4,6H2,1H3
InChIKeySRLASDOMBURONZ-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153760
N-[(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 105166315
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[(3-chloro-4-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 105166117
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(2-chlorophenyl)-(4-propylcyclohexyl)methyl]propan-1-amine
CID 65425524
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
CID 63990209

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine (CID 105157249) is N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine is CCCNC(c1ccncc1Cl)C1CC1.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine?
The InChIKey is SRLASDOMBURONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-6-15-12(9-3-4-9)10-5-7-14-8-11(10)13/h5,7-9,12,15H,2-4,6H2,1H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine?
N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine has a molecular weight of 224.73 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 105157249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).