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

C8H18ClN — CID 79445031

IUPACN-(2-chloropropyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC(C)Cl
InChIInChI=1S/C8H18ClN/c1-5-8(3)10(4)6-7(2)9/h7-8H,5-6H2,1-4H3
InChIKeyKRYHTWYSROVLJL-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.34
Rot. Bonds4

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

N-(2-chloropropyl)-N-methylbutan-2-amine (PubChem CID 79445031) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methylbutan-2-amine
PubChem CID79445031
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC NameN-(2-chloropropyl)-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC(C)Cl
InChIInChI=1S/C8H18ClN/c1-5-8(3)10(4)6-7(2)9/h7-8H,5-6H2,1-4H3
InChIKeyKRYHTWYSROVLJL-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.34
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-(2-chloropropyl)-N-methylbutan-2-amine?
The IUPAC name of N-(2-chloropropyl)-N-methylbutan-2-amine (CID 79445031) is N-(2-chloropropyl)-N-methylbutan-2-amine.
What is the SMILES notation for N-(2-chloropropyl)-N-methylbutan-2-amine?
The canonical SMILES for N-(2-chloropropyl)-N-methylbutan-2-amine is CCC(C)N(C)CC(C)Cl.
What is the InChIKey of N-(2-chloropropyl)-N-methylbutan-2-amine?
The InChIKey is KRYHTWYSROVLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-5-8(3)10(4)6-7(2)9/h7-8H,5-6H2,1-4H3.
What are the key properties of N-(2-chloropropyl)-N-methylbutan-2-amine?
N-(2-chloropropyl)-N-methylbutan-2-amine has a molecular weight of 163.69 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methylbutan-2-amine is sourced from PubChem (CID 79445031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).