(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine

C8H14N2 — CID 143713031

IUPAC(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine
SMILESC=N/C(=C\C=C/CC)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-6-8(7-9)10-2/h4-6H,2-3,7,9H2,1H3/b5-4-,8-6-
InChIKeyCZKSAHJHIILTKH-NADLECRISA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds4

About (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine

(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine (PubChem CID 143713031) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine
PubChem CID143713031
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine
SMILESC=N/C(=C\C=C/CC)CN
InChIInChI=1S/C8H14N2/c1-3-4-5-6-8(7-9)10-2/h4-6H,2-3,7,9H2,1H3/b5-4-,8-6-
InChIKeyCZKSAHJHIILTKH-NADLECRISA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
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

(3Z,5Z)-1,1,1-Trifluoro-N3-methylenehepta-3,5-diene-2,3-diamine
CID 72206905
(2S,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 86336948
(2R,3Z,5Z)-1,1,1-trifluoro-3-(methylideneamino)hepta-3,5-dien-2-amine
CID 86336949
(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
CID 153350435
(2E,4Z)-hepta-2,4-diene-1,2-diamine
CID 87415335
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
N-octa-2,4,7-trien-3-ylmethanimine
CID 123473345
N'-[(3Z)-5-methylhexa-1,3-dien-2-yl]methanimidamide
CID 124029099
(1Z,3Z,5Z)-4-(methylideneamino)hepta-1,3,5-trien-1-amine
CID 131966537
(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-1-amine
CID 141951212
(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142082739
(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane
CID 142082836

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine (CID 143713031) is (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine is C=N/C(=C\C=C/CC)CN.
What is the InChIKey of (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine?
The InChIKey is CZKSAHJHIILTKH-NADLECRISA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-5-6-8(7-9)10-2/h4-6H,2-3,7,9H2,1H3/b5-4-,8-6-.
What are the key properties of (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine?
(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine is sourced from PubChem (CID 143713031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).