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

C9H18N2 — CID 156819690

IUPACethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C)CN.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)4-7(5-8)9-3;1-2/h4H,1,3,5,8H2,2H3;1-2H3/b7-4-;
InChIKeyNSZACRGONKDACM-ZULQGGHCSA-N
MW154.26 g/mol
LogP2.13
Rot. Bonds3

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

ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine (PubChem CID 156819690) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
PubChem CID156819690
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C)CN.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)4-7(5-8)9-3;1-2/h4H,1,3,5,8H2,2H3;1-2H3/b7-4-;
InChIKeyNSZACRGONKDACM-ZULQGGHCSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.13
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'}

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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)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine (CID 156819690) is ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine is C=N/C(=C\C(=C)C)CN.CC.
What is the InChIKey of ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The InChIKey is NSZACRGONKDACM-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6(2)4-7(5-8)9-3;1-2/h4H,1,3,5,8H2,2H3;1-2H3/b7-4-;.
What are the key properties of ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine is sourced from PubChem (CID 156819690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).