N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine

C13H25N — CID 29040034

IUPACN-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCC1=CCCCC1
InChIInChI=1S/C13H25N/c1-3-13(4-2)14-11-10-12-8-6-5-7-9-12/h8,13-14H,3-7,9-11H2,1-2H3
InChIKeyHJLTXELFPBZWKE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine

N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine (PubChem CID 29040034) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine
PubChem CID29040034
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCC1=CCCCC1
InChIInChI=1S/C13H25N/c1-3-13(4-2)14-11-10-12-8-6-5-7-9-12/h8,13-14H,3-7,9-11H2,1-2H3
InChIKeyHJLTXELFPBZWKE-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine (CID 29040034) is N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine is CCC(CC)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine?
The InChIKey is HJLTXELFPBZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-13(4-2)14-11-10-12-8-6-5-7-9-12/h8,13-14H,3-7,9-11H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine?
N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 29040034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).