N-(3-chloropropyl)-N-propan-2-yldecan-1-amine

C16H34ClN — CID 55183302

IUPACN-(3-chloropropyl)-N-propan-2-yldecan-1-amine
SMILESCCCCCCCCCCN(CCCCl)C(C)C
InChIInChI=1S/C16H34ClN/c1-4-5-6-7-8-9-10-11-14-18(16(2)3)15-12-13-17/h16H,4-15H2,1-3H3
InChIKeyHDZDUQCBZQWZGY-UHFFFAOYSA-N
MW275.91 g/mol
LogP5.47
Rot. Bonds13

About N-(3-chloropropyl)-N-propan-2-yldecan-1-amine

N-(3-chloropropyl)-N-propan-2-yldecan-1-amine (PubChem CID 55183302) has the molecular formula C16H34ClN and a molecular weight of 275.91 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-yldecan-1-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-yldecan-1-amine
PubChem CID55183302
Molecular FormulaC16H34ClN
Molecular Weight275.91 g/mol
Exact Mass275.24
IUPAC NameN-(3-chloropropyl)-N-propan-2-yldecan-1-amine
SMILESCCCCCCCCCCN(CCCCl)C(C)C
InChIInChI=1S/C16H34ClN/c1-4-5-6-7-8-9-10-11-14-18(16(2)3)15-12-13-17/h16H,4-15H2,1-3H3
InChIKeyHDZDUQCBZQWZGY-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.91
LogP ≤ 55.47
H-Bond Donors ≤ 50
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)-N-propan-2-yldecan-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-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730857
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
N-(2-chloroethyl)-N-pentan-3-ylheptan-1-amine
CID 55184405
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561466

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-yldecan-1-amine?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-yldecan-1-amine (CID 55183302) is N-(3-chloropropyl)-N-propan-2-yldecan-1-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-yldecan-1-amine?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-yldecan-1-amine is CCCCCCCCCCN(CCCCl)C(C)C.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-yldecan-1-amine?
The InChIKey is HDZDUQCBZQWZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34ClN/c1-4-5-6-7-8-9-10-11-14-18(16(2)3)15-12-13-17/h16H,4-15H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-yldecan-1-amine?
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine has a molecular weight of 275.91 g/mol, XLogP of 5.47, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-yldecan-1-amine is sourced from PubChem (CID 55183302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).