N-(3-chloropropyl)-3-methylbutan-1-amine

C8H18ClN — CID 60668752

IUPACN-(3-chloropropyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCCCCl
InChIInChI=1S/C8H18ClN/c1-8(2)4-7-10-6-3-5-9/h8,10H,3-7H2,1-2H3
InChIKeyDJRUODXHRZAQMA-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.25
Rot. Bonds6

About N-(3-chloropropyl)-3-methylbutan-1-amine

N-(3-chloropropyl)-3-methylbutan-1-amine (PubChem CID 60668752) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-methylbutan-1-amine
PubChem CID60668752
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC NameN-(3-chloropropyl)-3-methylbutan-1-amine
SMILESCC(C)CCNCCCCl
InChIInChI=1S/C8H18ClN/c1-8(2)4-7-10-6-3-5-9/h8,10H,3-7H2,1-2H3
InChIKeyDJRUODXHRZAQMA-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.25
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'}

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Related Compounds

N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
N-(3-methylbutyl)heptan-1-amine
CID 22348867
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
N-[2-(2-chloroethoxy)ethyl]-3-methylbutan-1-amine
CID 65024429
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
5-bromo-N-(3-methylbutyl)pentan-1-amine
CID 107320246
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N-[3-(ethylamino)propyl]-N'-[3-(3-methylbutylamino)propyl]butane-1,4-diamine;methane;tetrahydrobromide
CID 161368262
(3S)-1-N-(3-methylbutyl)butane-1,3-diamine
CID 86664875
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3-methylbutan-1-amine?
The IUPAC name of N-(3-chloropropyl)-3-methylbutan-1-amine (CID 60668752) is N-(3-chloropropyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-(3-chloropropyl)-3-methylbutan-1-amine?
The canonical SMILES for N-(3-chloropropyl)-3-methylbutan-1-amine is CC(C)CCNCCCCl.
What is the InChIKey of N-(3-chloropropyl)-3-methylbutan-1-amine?
The InChIKey is DJRUODXHRZAQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-8(2)4-7-10-6-3-5-9/h8,10H,3-7H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-3-methylbutan-1-amine?
N-(3-chloropropyl)-3-methylbutan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-methylbutan-1-amine is sourced from PubChem (CID 60668752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).