3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine

C11H24ClN — CID 65030260

IUPAC3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCCC(C)C
InChIInChI=1S/C11H24ClN/c1-5-11(6-2,9-12)13-8-7-10(3)4/h10,13H,5-9H2,1-4H3
InChIKeyOKEJDNIZJYPVRV-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.42
Rot. Bonds7

About 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine

3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine (PubChem CID 65030260) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine
PubChem CID65030260
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCCC(C)C
InChIInChI=1S/C11H24ClN/c1-5-11(6-2,9-12)13-8-7-10(3)4/h10,13H,5-9H2,1-4H3
InChIKeyOKEJDNIZJYPVRV-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
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 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine?
The IUPAC name of 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine (CID 65030260) is 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine.
What is the SMILES notation for 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine?
The canonical SMILES for 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine is CCC(CC)(CCl)NCCC(C)C.
What is the InChIKey of 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine?
The InChIKey is OKEJDNIZJYPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN/c1-5-11(6-2,9-12)13-8-7-10(3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine?
3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine has a molecular weight of 205.77 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine is sourced from PubChem (CID 65030260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).