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

C8H18ClN — CID 61287944

IUPACN-(3-chloropropyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCCCl
InChIInChI=1S/C8H18ClN/c1-4-8(2)10(3)7-5-6-9/h8H,4-7H2,1-3H3
InChIKeyMOOFDPHWRZOXFT-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.35
Rot. Bonds5

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

N-(3-chloropropyl)-N-methylbutan-2-amine (PubChem CID 61287944) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-methylbutan-2-amine
PubChem CID61287944
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC NameN-(3-chloropropyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCCCl
InChIInChI=1S/C8H18ClN/c1-4-8(2)10(3)7-5-6-9/h8H,4-7H2,1-3H3
InChIKeyMOOFDPHWRZOXFT-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-methylbutan-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-methylbutan-2-amine (CID 61287944) is N-(3-chloropropyl)-N-methylbutan-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-methylbutan-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-methylbutan-2-amine is CCC(C)N(C)CCCCl.
What is the InChIKey of N-(3-chloropropyl)-N-methylbutan-2-amine?
The InChIKey is MOOFDPHWRZOXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-4-8(2)10(3)7-5-6-9/h8H,4-7H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-N-methylbutan-2-amine?
N-(3-chloropropyl)-N-methylbutan-2-amine has a molecular weight of 163.69 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-methylbutan-2-amine is sourced from PubChem (CID 61287944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).