2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

C11H22ClNO — CID 65165006

IUPAC2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCC(Cl)CN(C)CCCC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-10(12)9-13(2)7-3-5-11-6-4-8-14-11/h10-11H,3-9H2,1-2H3
InChIKeyPJRRODGOFBGPGR-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.50
Rot. Bonds6

About 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (PubChem CID 65165006) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
PubChem CID65165006
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCC(Cl)CN(C)CCCC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-10(12)9-13(2)7-3-5-11-6-4-8-14-11/h10-11H,3-9H2,1-2H3
InChIKeyPJRRODGOFBGPGR-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.50
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 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (CID 65165006) is 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine is CC(Cl)CN(C)CCCC1CCCO1.
What is the InChIKey of 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The InChIKey is PJRRODGOFBGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-10(12)9-13(2)7-3-5-11-6-4-8-14-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine has a molecular weight of 219.76 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 65165006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).