2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine

C10H21NO — CID 103074438

IUPAC2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-11-7-10(4)8-12-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyFQCJJBJCQCEOEQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine

2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074438) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074438
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-11-7-10(4)8-12-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyFQCJJBJCQCEOEQ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890
N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074892
N-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074894
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
CID 103074933
2-(2,2-difluoroethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103075025
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine (CID 103074438) is 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COC(C)C.
What is the InChIKey of 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is FQCJJBJCQCEOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-11-7-10(4)8-12-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine?
2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).