1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine

C11H22ClNO — CID 65025830

IUPAC1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(CCl)NCC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-9(2)6-10(7-12)13-8-11-4-3-5-14-11/h9-11,13H,3-8H2,1-2H3
InChIKeyUOPJXTUZYIBMEV-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.41
Rot. Bonds6

About 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine

1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine (PubChem CID 65025830) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine
PubChem CID65025830
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(CCl)NCC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-9(2)6-10(7-12)13-8-11-4-3-5-14-11/h9-11,13H,3-8H2,1-2H3
InChIKeyUOPJXTUZYIBMEV-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine?
The IUPAC name of 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine (CID 65025830) is 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine is CC(C)CC(CCl)NCC1CCCO1.
What is the InChIKey of 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine?
The InChIKey is UOPJXTUZYIBMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-9(2)6-10(7-12)13-8-11-4-3-5-14-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine?
1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine has a molecular weight of 219.76 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 65025830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).