ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine

C10H20N2 — CID 142083303

IUPACethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine
SMILESC=N/C(=C\C(C)=C/C)CN.CC
InChIInChI=1S/C8H14N2.C2H6/c1-4-7(2)5-8(6-9)10-3;1-2/h4-5H,3,6,9H2,1-2H3;1-2H3/b7-4-,8-5-;
InChIKeyYSUMIJGKTFWIKN-DNNMRGOVSA-N
MW168.28 g/mol
LogP2.52
Rot. Bonds3

About ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine

ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine (PubChem CID 142083303) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine
PubChem CID142083303
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine
SMILESC=N/C(=C\C(C)=C/C)CN.CC
InChIInChI=1S/C8H14N2.C2H6/c1-4-7(2)5-8(6-9)10-3;1-2/h4-5H,3,6,9H2,1-2H3;1-2H3/b7-4-,8-5-;
InChIKeyYSUMIJGKTFWIKN-DNNMRGOVSA-N
XLogP2.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 145224791
(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
CID 153350435
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(Z,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
CID 89120824
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine
CID 89495189
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112
2-Butylidene-5-[1-(methylideneamino)ethylidene]nona-3,6-diene-1,9-diamine
CID 91291281
(3E,5Z,7Z,9Z)-3-(ethylideneamino)-4-methylundeca-1,3,5,7,9-pentaene-2,6-diamine
CID 118213495
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
CID 123814073
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
CID 126717103

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine (CID 142083303) is ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine is C=N/C(=C\C(C)=C/C)CN.CC.
What is the InChIKey of ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine?
The InChIKey is YSUMIJGKTFWIKN-DNNMRGOVSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-4-7(2)5-8(6-9)10-3;1-2/h4-5H,3,6,9H2,1-2H3;1-2H3/b7-4-,8-5-;.
What are the key properties of ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine?
ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine is sourced from PubChem (CID 142083303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).