N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine

C13H21ClN2 — CID 115656031

IUPACN-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1cccnc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-10(2)8-11(3)16-9-12-6-5-7-15-13(12)14/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeySAAUDIIRPAUBBU-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.65
Rot. Bonds6

About N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine

N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine (PubChem CID 115656031) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
PubChem CID115656031
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1cccnc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-10(2)8-11(3)16-9-12-6-5-7-15-13(12)14/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeySAAUDIIRPAUBBU-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-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-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 115614185
2-[(2-chloro-3-pyridinyl)methylamino]-3-methylpentan-1-ol
CID 115644875
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639950
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
CID 114842422
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757397
3-[(2-chloro-3-pyridinyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115644851
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
2,4-dichloro-3-[2-[(2-chloro-3-pyridinyl)methylamino]propyl]benzoic acid
CID 174997931

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine (CID 115656031) is N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine is CCC(C)CC(C)NCc1cccnc1Cl.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine?
The InChIKey is SAAUDIIRPAUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-10(2)8-11(3)16-9-12-6-5-7-15-13(12)14/h5-7,10-11,16H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine?
N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine has a molecular weight of 240.78 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine is sourced from PubChem (CID 115656031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).