(1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine

C8H16N2 — CID 144605969

IUPAC(1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine
SMILESCCC/C=C(\C=C/N)NC
InChIInChI=1S/C8H16N2/c1-3-4-5-8(10-2)6-7-9/h5-7,10H,3-4,9H2,1-2H3/b7-6-,8-5+
InChIKeyIIHUIWQSPOYJMW-WNXMRAAYSA-N
MW140.23 g/mol
LogP1.36
Rot. Bonds4

About (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine

(1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine (PubChem CID 144605969) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine
PubChem CID144605969
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine
SMILESCCC/C=C(\C=C/N)NC
InChIInChI=1S/C8H16N2/c1-3-4-5-8(10-2)6-7-9/h5-7,10H,3-4,9H2,1-2H3/b7-6-,8-5+
InChIKeyIIHUIWQSPOYJMW-WNXMRAAYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-1-propylsulfanylpent-1-en-1-amine
CID 163658089
pent-1-ene-1,1-diol
CID 21473005
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
nona-3,5-dien-5-amine
CID 173041910
1-[(E)-1-iminohex-2-en-2-yl]guanidine
CID 176525862
(Z)-2-(methylamino)pent-2-enal
CID 144647822
N-methoxyhept-3-en-3-amine
CID 90896355
(2Z,4E)-4-methylocta-2,4-dien-1-amine
CID 55285493
2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
CID 163554564
(Z)-2-cyano-N-methylhex-2-enamide
CID 144646331
1,3-dichlorohepta-1,3-diene
CID 154209919
(Z)-2-aminohex-2-enamide
CID 55284106

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine (CID 144605969) is (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine is CCC/C=C(\C=C/N)NC.
What is the InChIKey of (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine?
The InChIKey is IIHUIWQSPOYJMW-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-8(10-2)6-7-9/h5-7,10H,3-4,9H2,1-2H3/b7-6-,8-5+.
What are the key properties of (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine?
(1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-N-methylhepta-1,3-diene-1,3-diamine is sourced from PubChem (CID 144605969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).