(1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine

C9H16N2 — CID 139420743

IUPAC(1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine
SMILESC/N=C/C(=C\C=C/N)C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)9(7-11-3)5-4-6-10/h4-8H,10H2,1-3H3/b6-4-,9-5+,11-7+
InChIKeyIUDPWCNURPNVOV-ZHTAQXPLSA-N
MW152.24 g/mol
LogP1.74
Rot. Bonds3

About (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine

(1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine (PubChem CID 139420743) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine
PubChem CID139420743
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine
SMILESC/N=C/C(=C\C=C/N)C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)9(7-11-3)5-4-6-10/h4-8H,10H2,1-3H3/b6-4-,9-5+,11-7+
InChIKeyIUDPWCNURPNVOV-ZHTAQXPLSA-N
XLogP1.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.74
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 (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine (CID 139420743) is (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine is C/N=C/C(=C\C=C/N)C(C)C.
What is the InChIKey of (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine?
The InChIKey is IUDPWCNURPNVOV-ZHTAQXPLSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)9(7-11-3)5-4-6-10/h4-8H,10H2,1-3H3/b6-4-,9-5+,11-7+.
What are the key properties of (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine?
(1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-methyl-4-(methyliminomethyl)hexa-1,3-dien-1-amine is sourced from PubChem (CID 139420743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).