3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine

C10H20ClNO — CID 63712110

IUPAC3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCN(CCCCl)CC1CCOCC1
InChIInChI=1S/C10H20ClNO/c1-12(6-2-5-11)9-10-3-7-13-8-4-10/h10H,2-9H2,1H3
InChIKeyUCSANYQHVJOIRM-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.97
Rot. Bonds5

About 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine

3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine (PubChem CID 63712110) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
PubChem CID63712110
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCN(CCCCl)CC1CCOCC1
InChIInChI=1S/C10H20ClNO/c1-12(6-2-5-11)9-10-3-7-13-8-4-10/h10H,2-9H2,1H3
InChIKeyUCSANYQHVJOIRM-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
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-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine (CID 63712110) is 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine is CN(CCCCl)CC1CCOCC1.
What is the InChIKey of 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
The InChIKey is UCSANYQHVJOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-12(6-2-5-11)9-10-3-7-13-8-4-10/h10H,2-9H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine has a molecular weight of 205.73 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 63712110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).