3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine

C11H22ClNO — CID 65030202

IUPAC3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-3-11(4-2,9-12)13-8-10-6-5-7-14-10/h10,13H,3-9H2,1-2H3
InChIKeyUPESSOZDVRJXHH-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.55
Rot. Bonds6

About 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine

3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine (PubChem CID 65030202) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine
PubChem CID65030202
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-3-11(4-2,9-12)13-8-10-6-5-7-14-10/h10,13H,3-9H2,1-2H3
InChIKeyUPESSOZDVRJXHH-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(oxolan-2-ylmethyl)pentan-3-amine?
The IUPAC name of 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine (CID 65030202) is 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine.
What is the SMILES notation for 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine?
The canonical SMILES for 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine is CCC(CC)(CCl)NCC1CCCO1.
What is the InChIKey of 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine?
The InChIKey is UPESSOZDVRJXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-11(4-2,9-12)13-8-10-6-5-7-14-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine?
3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine has a molecular weight of 219.76 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine is sourced from PubChem (CID 65030202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).