(Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine

C9H16N2 — CID 145137752

IUPAC(Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine
SMILESC=C/C=N/CCC/C=C\CN
InChIInChI=1S/C9H16N2/c1-2-8-11-9-6-4-3-5-7-10/h2-3,5,8H,1,4,6-7,9-10H2/b5-3-,11-8+
InChIKeyFCRCJDJUGIBNMC-NJHUYJSNSA-N
MW152.24 g/mol
LogP1.54
Rot. Bonds6

About (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine

(Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine (PubChem CID 145137752) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine
PubChem CID145137752
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine
SMILESC=C/C=N/CCC/C=C\CN
InChIInChI=1S/C9H16N2/c1-2-8-11-9-6-4-3-5-7-10/h2-3,5,8H,1,4,6-7,9-10H2/b5-3-,11-8+
InChIKeyFCRCJDJUGIBNMC-NJHUYJSNSA-N
XLogP1.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2H-pyrrol-2-yl)ethanamine
CID 68709000
3-(Hept-2-enylideneamino)propan-1-amine
CID 123193439
6-Ethynyliminohex-4-en-1-amine
CID 123395216
6-Methyliminohex-2-en-1-amine
CID 123732613
(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
CID 129043125
2-(2H-azepin-5-yl)ethanamine
CID 143109870
(2S)-2-methyl-2,3-dihydropyridin-3-amine;propane
CID 143817204
(Z)-6-(ethylideneamino)hex-2-en-1-amine
CID 145589518
(Z)-6-cyclopropyliminohex-4-en-3-amine
CID 155132299
(2E,6E)-8-iminoocta-2,6-dien-1-amine
CID 142215187

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine?
The IUPAC name of (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine (CID 145137752) is (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine.
What is the SMILES notation for (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine?
The canonical SMILES for (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine is C=C/C=N/CCC/C=C\CN.
What is the InChIKey of (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine?
The InChIKey is FCRCJDJUGIBNMC-NJHUYJSNSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8-11-9-6-4-3-5-7-10/h2-3,5,8H,1,4,6-7,9-10H2/b5-3-,11-8+.
What are the key properties of (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine?
(Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(prop-2-enylideneamino)hex-2-en-1-amine is sourced from PubChem (CID 145137752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).