(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide

C9H16N2O — CID 118029945

IUPAC(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
SMILESC/C=C(\C=C/CC)C(=O)NCN
InChIInChI=1S/C9H16N2O/c1-3-5-6-8(4-2)9(12)11-7-10/h4-6H,3,7,10H2,1-2H3,(H,11,12)/b6-5-,8-4+
InChIKeyBIIQDULMEQZESV-QNMAEOQASA-N
MW168.24 g/mol
LogP0.93
Rot. Bonds4

About (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide

(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide (PubChem CID 118029945) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide.

Molecular Properties

Compound Name(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
PubChem CID118029945
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
SMILESC/C=C(\C=C/CC)C(=O)NCN
InChIInChI=1S/C9H16N2O/c1-3-5-6-8(4-2)9(12)11-7-10/h4-6H,3,7,10H2,1-2H3,(H,11,12)/b6-5-,8-4+
InChIKeyBIIQDULMEQZESV-QNMAEOQASA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
CID 163760417
ethane;(Z,2E)-2-ethylidene-N-propan-2-ylhex-3-enamide
CID 166462652
3-ethylidenehept-4-en-2-one
CID 123873548
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
CID 142428664
ethyl (Z)-pent-2-enoate
CID 11332473
(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide
CID 130282853
1-aminohept-4-en-3-one
CID 141202462
S-(2-sulfanylethyl) (Z,2E)-2-ethylidenehex-3-enethioate
CID 142608839
(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide
CID 143257008
(E)-pent-2-enoic acid
CID 638122
(E)-N-hydroxypent-2-enamide
CID 87376694
(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide
CID 143480404

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide?
The IUPAC name of (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide (CID 118029945) is (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide.
What is the SMILES notation for (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide?
The canonical SMILES for (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide is C/C=C(\C=C/CC)C(=O)NCN.
What is the InChIKey of (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide?
The InChIKey is BIIQDULMEQZESV-QNMAEOQASA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-6-8(4-2)9(12)11-7-10/h4-6H,3,7,10H2,1-2H3,(H,11,12)/b6-5-,8-4+.
What are the key properties of (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide?
(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide is sourced from PubChem (CID 118029945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).