3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine

C11H22ClNO — CID 63389318

IUPAC3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCCl)CC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-10(2)13(7-4-6-12)9-11-5-3-8-14-11/h10-11H,3-9H2,1-2H3
InChIKeyPIIHFBKPZHUWAT-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.50
Rot. Bonds6

About 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine

3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 63389318) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID63389318
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCCl)CC1CCCO1
InChIInChI=1S/C11H22ClNO/c1-10(2)13(7-4-6-12)9-11-5-3-8-14-11/h10-11H,3-9H2,1-2H3
InChIKeyPIIHFBKPZHUWAT-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 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 63389318) is 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine is CC(C)N(CCCCl)CC1CCCO1.
What is the InChIKey of 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is PIIHFBKPZHUWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-10(2)13(7-4-6-12)9-11-5-3-8-14-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine?
3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-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 3-chloro-N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63389318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).