1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine

C13H25NO — CID 116723819

IUPAC1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
SMILESC=CCC(NCCC)C(OCC)C1CC1
InChIInChI=1S/C13H25NO/c1-4-7-12(14-10-5-2)13(15-6-3)11-8-9-11/h4,11-14H,1,5-10H2,2-3H3
InChIKeyCBBKQSLDJYBDMU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds9

About 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine

1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine (PubChem CID 116723819) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
PubChem CID116723819
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
SMILESC=CCC(NCCC)C(OCC)C1CC1
InChIInChI=1S/C13H25NO/c1-4-7-12(14-10-5-2)13(15-6-3)11-8-9-11/h4,11-14H,1,5-10H2,2-3H3
InChIKeyCBBKQSLDJYBDMU-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
CID 116723864
1-cyclopropyl-1-ethoxy-N-ethylhex-5-en-2-amine
CID 116723744
5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine
CID 116725935
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
5-methoxy-N-propylhept-1-en-4-amine
CID 116715902
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
CID 116723712
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine (CID 116723819) is 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine is C=CCC(NCCC)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine?
The InChIKey is CBBKQSLDJYBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-12(14-10-5-2)13(15-6-3)11-8-9-11/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine?
1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine is sourced from PubChem (CID 116723819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).