3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine

C10H20ClNO — CID 61436090

IUPAC3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCN(CCCCl)CC1CCCCO1
InChIInChI=1S/C10H20ClNO/c1-12(7-4-6-11)9-10-5-2-3-8-13-10/h10H,2-9H2,1H3
InChIKeyQUZULJDRZDTIDE-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.12
Rot. Bonds5

About 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine

3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine (PubChem CID 61436090) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
PubChem CID61436090
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
SMILESCN(CCCCl)CC1CCCCO1
InChIInChI=1S/C10H20ClNO/c1-12(7-4-6-11)9-10-5-2-3-8-13-10/h10H,2-9H2,1H3
InChIKeyQUZULJDRZDTIDE-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydropyranyl trimethylamine
CID 14913717
N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
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CID 107488728
3-Chloro-2-(ethoxymethyl)-1-methylpiperidine
CID 21245730
N-ethyl-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 58080083
N-ethyl-N-[[(2R)-oxan-2-yl]methyl]ethanamine
CID 58080096
N-ethyl-N-(oxan-2-ylmethyl)ethanamine
CID 58080190
4-(3-Chloropropyl)-2-ethylmorpholine
CID 58219835
N-methyl-N-[(6-methyloxan-2-yl)methyl]ethanamine
CID 91361000
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CID 141318115
N,N-dimethyl-1-(oxan-2-yl)methanamine;ethane
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CID 143886318

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine (CID 61436090) is 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine is CN(CCCCl)CC1CCCCO1.
What is the InChIKey of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine?
The InChIKey is QUZULJDRZDTIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-12(7-4-6-11)9-10-5-2-3-8-13-10/h10H,2-9H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine?
3-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-1-amine has a molecular weight of 205.73 g/mol, XLogP of 2.12, 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-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 61436090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).