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

C10H20N2 — CID 142082836

IUPAC(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane
SMILESC=N/C(=C\C(=C)C)CNC.CC
InChIInChI=1S/C8H14N2.C2H6/c1-7(2)5-8(10-4)6-9-3;1-2/h5,9H,1,4,6H2,2-3H3;1-2H3/b8-5-;
InChIKeyQUNMVPMJBHSZRR-HGKIGUAWSA-N
MW168.28 g/mol
LogP2.39
Rot. Bonds4

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

(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane (PubChem CID 142082836) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane.

Molecular Properties

Compound Name(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane
PubChem CID142082836
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane
SMILESC=N/C(=C\C(=C)C)CNC.CC
InChIInChI=1S/C8H14N2.C2H6/c1-7(2)5-8(10-4)6-9-3;1-2/h5,9H,1,4,6H2,2-3H3;1-2H3/b8-5-;
InChIKeyQUNMVPMJBHSZRR-HGKIGUAWSA-N
XLogP2.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.39
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

N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
CID 59893816
N-[(2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 72589881
(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine
CID 88918610
(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine
CID 88998046
(1Z,3Z)-5-N,2,4-trimethylhexa-1,3,5-triene-1,5-diamine
CID 89204108
N-methyl-N'-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
CID 89317993
N',N'-dimethyl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethane-1,2-diamine
CID 89318104
(Z)-N-methyl-2-(methylideneamino)pent-2-en-1-amine
CID 89364135
(3E,5E)-4-N,5-N,2-trimethylocta-1,3,5-triene-4,5-diamine
CID 89495189
2-Ethylidene-3-(2-methylbut-2-enylidene)-1,4-dihydropyrazine
CID 90893569
Cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium
CID 91302856
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane?
The IUPAC name of (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane (CID 142082836) is (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane.
What is the SMILES notation for (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane?
The canonical SMILES for (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane is C=N/C(=C\C(=C)C)CNC.CC.
What is the InChIKey of (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane?
The InChIKey is QUNMVPMJBHSZRR-HGKIGUAWSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-7(2)5-8(10-4)6-9-3;1-2/h5,9H,1,4,6H2,2-3H3;1-2H3/b8-5-;.
What are the key properties of (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane?
(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane has a molecular weight of 168.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane is sourced from PubChem (CID 142082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).