(Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine

C11H21N — CID 89022605

IUPAC(Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine
SMILESC/C=C\C(=C/C)C(C)NCCC
InChIInChI=1S/C11H21N/c1-5-8-11(7-3)10(4)12-9-6-2/h5,7-8,10,12H,6,9H2,1-4H3/b8-5-,11-7+
InChIKeyKHZREFAXLFQBPD-NDYCNEGQSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds5

About (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine

(Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine (PubChem CID 89022605) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine
PubChem CID89022605
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine
SMILESC/C=C\C(=C/C)C(C)NCCC
InChIInChI=1S/C11H21N/c1-5-8-11(7-3)10(4)12-9-6-2/h5,7-8,10,12H,6,9H2,1-4H3/b8-5-,11-7+
InChIKeyKHZREFAXLFQBPD-NDYCNEGQSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine?
The IUPAC name of (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine (CID 89022605) is (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine.
What is the SMILES notation for (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine?
The canonical SMILES for (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine is C/C=C\C(=C/C)C(C)NCCC.
What is the InChIKey of (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine?
The InChIKey is KHZREFAXLFQBPD-NDYCNEGQSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-11(7-3)10(4)12-9-6-2/h5,7-8,10,12H,6,9H2,1-4H3/b8-5-,11-7+.
What are the key properties of (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine?
(Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-N-propylhex-4-en-2-amine is sourced from PubChem (CID 89022605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).