(2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine

C8H14N2 — CID 167214634

IUPAC(2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine
SMILESC=N/C(=C\C=C/C)[C@H](C)N
InChIInChI=1S/C8H14N2/c1-4-5-6-8(10-3)7(2)9/h4-7H,3,9H2,1-2H3/b5-4-,8-6-/t7-/m0/s1
InChIKeyZLRKNHCYZNOGSA-RFFCPODISA-N
MW138.21 g/mol
LogP1.49
Rot. Bonds3

About (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine

(2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine (PubChem CID 167214634) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine
PubChem CID167214634
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine
SMILESC=N/C(=C\C=C/C)[C@H](C)N
InChIInChI=1S/C8H14N2/c1-4-5-6-8(10-3)7(2)9/h4-7H,3,9H2,1-2H3/b5-4-,8-6-/t7-/m0/s1
InChIKeyZLRKNHCYZNOGSA-RFFCPODISA-N
XLogP1.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine?
The IUPAC name of (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine (CID 167214634) is (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine.
What is the SMILES notation for (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine?
The canonical SMILES for (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine is C=N/C(=C\C=C/C)[C@H](C)N.
What is the InChIKey of (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine?
The InChIKey is ZLRKNHCYZNOGSA-RFFCPODISA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-6-8(10-3)7(2)9/h4-7H,3,9H2,1-2H3/b5-4-,8-6-/t7-/m0/s1.
What are the key properties of (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine?
(2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z,5Z)-3-(methylideneamino)hepta-3,5-dien-2-amine is sourced from PubChem (CID 167214634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).