(3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine

C8H14N2 — CID 143904257

IUPAC(3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine
SMILES[H]/N=C/C=C\C=C\CCNC
InChIInChI=1S/C8H14N2/c1-10-8-6-4-2-3-5-7-9/h2-5,7,9-10H,6,8H2,1H3/b4-2+,5-3-,9-7+
InChIKeyVGWOYTIHLVXPLJ-BUJGYVBMSA-N
MW138.21 g/mol
LogP1.36
Rot. Bonds5

About (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine

(3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine (PubChem CID 143904257) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine
PubChem CID143904257
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine
SMILES[H]/N=C/C=C\C=C\CCNC
InChIInChI=1S/C8H14N2/c1-10-8-6-4-2-3-5-7-9/h2-5,7,9-10H,6,8H2,1H3/b4-2+,5-3-,9-7+
InChIKeyVGWOYTIHLVXPLJ-BUJGYVBMSA-N
XLogP1.36
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
(E,5Z)-5-hydrazinylidene-N-methylpent-3-en-1-amine
CID 118617253
6-imino-N-methylhex-4-en-1-amine
CID 123776994
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
CID 137402233
N-methyl-2,3-dihydropyridin-2-amine
CID 138478210
(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057474
(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057520
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
ethane;(3E,5Z)-3-methylhepta-3,5-dien-1-imine;N'-methylpropane-1,3-diamine
CID 142275000
(E)-4-(2,3-dihydropyridin-5-yl)-N-methylbut-3-en-1-amine
CID 142970846
1-(2H-azepin-5-yl)-N-methylmethanamine
CID 143096854

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine (CID 143904257) is (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine is [H]/N=C/C=C\C=C\CCNC.
What is the InChIKey of (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine?
The InChIKey is VGWOYTIHLVXPLJ-BUJGYVBMSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-8-6-4-2-3-5-7-9/h2-5,7,9-10H,6,8H2,1H3/b4-2+,5-3-,9-7+.
What are the key properties of (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine?
(3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-7-imino-N-methylhepta-3,5-dien-1-amine is sourced from PubChem (CID 143904257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).