N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine

C10H20ClNO — CID 63387297

IUPACN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCN(CCCl)CC1CCCO1
InChIInChI=1S/C10H20ClNO/c1-2-6-12(7-5-11)9-10-4-3-8-13-10/h10H,2-9H2,1H3
InChIKeyGQGWKZUPOQNCTO-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.12
Rot. Bonds6

About N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine

N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 63387297) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID63387297
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCCCN(CCCl)CC1CCCO1
InChIInChI=1S/C10H20ClNO/c1-2-6-12(7-5-11)9-10-4-3-8-13-10/h10H,2-9H2,1H3
InChIKeyGQGWKZUPOQNCTO-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
CID 45696
Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-, hydrochloride
CID 49648
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 10998362
Trimethyl(oxolan-2-ylmethyl)azanium
CID 40310
Tetrahydrofurfuryldimethylethylammonium iodide
CID 24833216
N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107487790
N-(2-chloroethyl)-2,2-difluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107488113
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107488716
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107489199
N,N-Diethyltetrahydro-2-furanmethanamine
CID 44719065
N-Methyl-N-((tetrahydrofuran-2-yl)methyl)ethanamine
CID 45087982
(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine
CID 59293405

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 63387297) is N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine is CCCN(CCCl)CC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is GQGWKZUPOQNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-6-12(7-5-11)9-10-4-3-8-13-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 205.73 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63387297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).