(2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine

C10H18N2 — CID 143803587

IUPAC(2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine
SMILES[H]/N=C/C(=C(C)C)/C(=C/C)CNC
InChIInChI=1S/C10H18N2/c1-5-9(7-12-4)10(6-11)8(2)3/h5-6,11-12H,7H2,1-4H3/b9-5+,11-6+
InChIKeyPQSPZHUBXUDNFA-MPEOSAONSA-N
MW166.27 g/mol
LogP2.14
Rot. Bonds4

About (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine

(2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine (PubChem CID 143803587) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine
PubChem CID143803587
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine
SMILES[H]/N=C/C(=C(C)C)/C(=C/C)CNC
InChIInChI=1S/C10H18N2/c1-5-9(7-12-4)10(6-11)8(2)3/h5-6,11-12H,7H2,1-4H3/b9-5+,11-6+
InChIKeyPQSPZHUBXUDNFA-MPEOSAONSA-N
XLogP2.14
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
1-(2,3-dihydropyridin-5-yl)-N-methylmethanamine
CID 89652924
N-methyl-2-(2H-pyrrol-4-yl)ethanamine
CID 90161354
1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine
CID 90179713
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine
CID 118549041
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
4-(Azetidin-3-yl)-2-ethylidene-3-methylpent-3-en-1-imine
CID 123302715
N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine (CID 143803587) is (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine is [H]/N=C/C(=C(C)C)/C(=C/C)CNC.
What is the InChIKey of (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine?
The InChIKey is PQSPZHUBXUDNFA-MPEOSAONSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(7-12-4)10(6-11)8(2)3/h5-6,11-12H,7H2,1-4H3/b9-5+,11-6+.
What are the key properties of (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine?
(2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-methanimidoyl-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 143803587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).