(Z)-N-ethylhex-4-en-3-amine

C8H17N — CID 142607380

IUPAC(Z)-N-ethylhex-4-en-3-amine
SMILESC/C=C\C(CC)NCC
InChIInChI=1S/C8H17N/c1-4-7-8(5-2)9-6-3/h4,7-9H,5-6H2,1-3H3/b7-4-
InChIKeyHBVBKOPTMWGCAP-DAXSKMNVSA-N
MW127.23 g/mol
LogP1.95
Rot. Bonds4

About (Z)-N-ethylhex-4-en-3-amine

(Z)-N-ethylhex-4-en-3-amine (PubChem CID 142607380) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (Z)-N-ethylhex-4-en-3-amine.

Molecular Properties

Compound Name(Z)-N-ethylhex-4-en-3-amine
PubChem CID142607380
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(Z)-N-ethylhex-4-en-3-amine
SMILESC/C=C\C(CC)NCC
InChIInChI=1S/C8H17N/c1-4-7-8(5-2)9-6-3/h4,7-9H,5-6H2,1-3H3/b7-4-
InChIKeyHBVBKOPTMWGCAP-DAXSKMNVSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.95
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 (Z)-N-ethylhex-4-en-3-amine?
The IUPAC name of (Z)-N-ethylhex-4-en-3-amine (CID 142607380) is (Z)-N-ethylhex-4-en-3-amine.
What is the SMILES notation for (Z)-N-ethylhex-4-en-3-amine?
The canonical SMILES for (Z)-N-ethylhex-4-en-3-amine is C/C=C\C(CC)NCC.
What is the InChIKey of (Z)-N-ethylhex-4-en-3-amine?
The InChIKey is HBVBKOPTMWGCAP-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H17N/c1-4-7-8(5-2)9-6-3/h4,7-9H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-N-ethylhex-4-en-3-amine?
(Z)-N-ethylhex-4-en-3-amine has a molecular weight of 127.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylhex-4-en-3-amine is sourced from PubChem (CID 142607380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).