2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine

C15H29N — CID 116662260

IUPAC2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)C1=CCCCC1
InChIInChI=1S/C15H29N/c1-4-12-16-13-15(5-2,6-3)14-10-8-7-9-11-14/h10,16H,4-9,11-13H2,1-3H3
InChIKeyBANUGHYZTZJHBZ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.29
Rot. Bonds7

About 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine

2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 116662260) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine
PubChem CID116662260
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)C1=CCCCC1
InChIInChI=1S/C15H29N/c1-4-12-16-13-15(5-2,6-3)14-10-8-7-9-11-14/h10,16H,4-9,11-13H2,1-3H3
InChIKeyBANUGHYZTZJHBZ-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine (CID 116662260) is 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine is CCCNCC(CC)(CC)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is BANUGHYZTZJHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-12-16-13-15(5-2,6-3)14-10-8-7-9-11-14/h10,16H,4-9,11-13H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine?
2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 116662260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).