5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine

C11H22ClNO — CID 61436040

IUPAC5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine
SMILESCN(CCCCCCl)CC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-13(8-4-2-3-7-12)10-11-6-5-9-14-11/h11H,2-10H2,1H3
InChIKeyAQVNFEYDVCUZHE-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.51
Rot. Bonds7

About 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine

5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine (PubChem CID 61436040) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine
PubChem CID61436040
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine
SMILESCN(CCCCCCl)CC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-13(8-4-2-3-7-12)10-11-6-5-9-14-11/h11H,2-10H2,1H3
InChIKeyAQVNFEYDVCUZHE-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine (CID 61436040) is 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine is CN(CCCCCCl)CC1CCCO1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine?
The InChIKey is AQVNFEYDVCUZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-13(8-4-2-3-7-12)10-11-6-5-9-14-11/h11H,2-10H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine?
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine has a molecular weight of 219.76 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 61436040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).