3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine

C12H24ClNO — CID 103139724

IUPAC3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine
SMILESCC1CCC(CN(CCCCl)C(C)C)O1
InChIInChI=1S/C12H24ClNO/c1-10(2)14(8-4-7-13)9-12-6-5-11(3)15-12/h10-12H,4-9H2,1-3H3
InChIKeyDNDYVUDJUUDVBX-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.89
Rot. Bonds6

About 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine

3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 103139724) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine
PubChem CID103139724
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine
SMILESCC1CCC(CN(CCCCl)C(C)C)O1
InChIInChI=1S/C12H24ClNO/c1-10(2)14(8-4-7-13)9-12-6-5-11(3)15-12/h10-12H,4-9H2,1-3H3
InChIKeyDNDYVUDJUUDVBX-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.89
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-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine (CID 103139724) is 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine is CC1CCC(CN(CCCCl)C(C)C)O1.
What is the InChIKey of 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is DNDYVUDJUUDVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10(2)14(8-4-7-13)9-12-6-5-11(3)15-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyloxolan-2-yl)methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103139724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).