N-(3-chloropropyl)-2-methylpentan-3-amine

C9H20ClN — CID 88742060

IUPACN-(3-chloropropyl)-2-methylpentan-3-amine
SMILESCCC(NCCCCl)C(C)C
InChIInChI=1S/C9H20ClN/c1-4-9(8(2)3)11-7-5-6-10/h8-9,11H,4-7H2,1-3H3
InChIKeyMMCFKPJKPPSFSN-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.64
Rot. Bonds6

About N-(3-chloropropyl)-2-methylpentan-3-amine

N-(3-chloropropyl)-2-methylpentan-3-amine (PubChem CID 88742060) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methylpentan-3-amine
PubChem CID88742060
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-(3-chloropropyl)-2-methylpentan-3-amine
SMILESCCC(NCCCCl)C(C)C
InChIInChI=1S/C9H20ClN/c1-4-9(8(2)3)11-7-5-6-10/h8-9,11H,4-7H2,1-3H3
InChIKeyMMCFKPJKPPSFSN-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-2-methylpentan-3-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-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
4-(2-methylpentan-3-ylamino)butanoic acid
CID 60782798
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788
3-[2-(2-methylpentan-3-ylamino)ethylsulfanyl]propan-1-ol
CID 115717861
2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol
CID 115896051
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol
CID 115894897
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine
CID 115894594
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methylpentan-3-amine?
The IUPAC name of N-(3-chloropropyl)-2-methylpentan-3-amine (CID 88742060) is N-(3-chloropropyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(3-chloropropyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(3-chloropropyl)-2-methylpentan-3-amine is CCC(NCCCCl)C(C)C.
What is the InChIKey of N-(3-chloropropyl)-2-methylpentan-3-amine?
The InChIKey is MMCFKPJKPPSFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN/c1-4-9(8(2)3)11-7-5-6-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-methylpentan-3-amine?
N-(3-chloropropyl)-2-methylpentan-3-amine has a molecular weight of 177.72 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methylpentan-3-amine is sourced from PubChem (CID 88742060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).