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

C14H27NO — CID 116723864

IUPAC1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(NCCC)C(OCC)C1CC1
InChIInChI=1S/C14H27NO/c1-5-9-15-13(10-11(3)4)14(16-6-2)12-7-8-12/h12-15H,3,5-10H2,1-2,4H3
InChIKeyOGOLSAADEFYAMI-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds9

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

1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine (PubChem CID 116723864) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
PubChem CID116723864
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
SMILESC=C(C)CC(NCCC)C(OCC)C1CC1
InChIInChI=1S/C14H27NO/c1-5-9-15-13(10-11(3)4)14(16-6-2)12-7-8-12/h12-15H,3,5-10H2,1-2,4H3
InChIKeyOGOLSAADEFYAMI-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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-N-propylpent-4-en-2-amine
CID 116723819
5-ethoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
CID 116721629
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79185600
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
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-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
CID 79179369
1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 116772492
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine (CID 116723864) is 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine is C=C(C)CC(NCCC)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine?
The InChIKey is OGOLSAADEFYAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-9-15-13(10-11(3)4)14(16-6-2)12-7-8-12/h12-15H,3,5-10H2,1-2,4H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine?
1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 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-4-methyl-N-propylpent-4-en-2-amine is sourced from PubChem (CID 116723864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).