(Z)-N-(2-propoxyethyl)hex-2-en-2-amine

C11H23NO — CID 142601681

IUPAC(Z)-N-(2-propoxyethyl)hex-2-en-2-amine
SMILESCCC/C=C(/C)NCCOCCC
InChIInChI=1S/C11H23NO/c1-4-6-7-11(3)12-8-10-13-9-5-2/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyJELAZJKHWQFGPS-XFFZJAGNSA-N
MW185.31 g/mol
LogP2.71
Rot. Bonds8

About (Z)-N-(2-propoxyethyl)hex-2-en-2-amine

(Z)-N-(2-propoxyethyl)hex-2-en-2-amine (PubChem CID 142601681) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (Z)-N-(2-propoxyethyl)hex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(2-propoxyethyl)hex-2-en-2-amine
PubChem CID142601681
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(Z)-N-(2-propoxyethyl)hex-2-en-2-amine
SMILESCCC/C=C(/C)NCCOCCC
InChIInChI=1S/C11H23NO/c1-4-6-7-11(3)12-8-10-13-9-5-2/h7,12H,4-6,8-10H2,1-3H3/b11-7-
InChIKeyJELAZJKHWQFGPS-XFFZJAGNSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(2-propoxyethyl)hex-2-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-propoxyethyl)hex-2-en-2-amine?
The IUPAC name of (Z)-N-(2-propoxyethyl)hex-2-en-2-amine (CID 142601681) is (Z)-N-(2-propoxyethyl)hex-2-en-2-amine.
What is the SMILES notation for (Z)-N-(2-propoxyethyl)hex-2-en-2-amine?
The canonical SMILES for (Z)-N-(2-propoxyethyl)hex-2-en-2-amine is CCC/C=C(/C)NCCOCCC.
What is the InChIKey of (Z)-N-(2-propoxyethyl)hex-2-en-2-amine?
The InChIKey is JELAZJKHWQFGPS-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-7-11(3)12-8-10-13-9-5-2/h7,12H,4-6,8-10H2,1-3H3/b11-7-.
What are the key properties of (Z)-N-(2-propoxyethyl)hex-2-en-2-amine?
(Z)-N-(2-propoxyethyl)hex-2-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-propoxyethyl)hex-2-en-2-amine is sourced from PubChem (CID 142601681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).