(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine

C10H18N2 — CID 176964311

IUPAC(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine
SMILES[H]/N=C/C(=C\C=C)C(C)CCCN
InChIInChI=1S/C10H18N2/c1-3-5-10(8-12)9(2)6-4-7-11/h3,5,8-9,12H,1,4,6-7,11H2,2H3/b10-5+,12-8+
InChIKeyFTODKIGQMARDTI-ULERAKTPSA-N
MW166.27 g/mol
LogP2.12
Rot. Bonds6

About (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine

(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine (PubChem CID 176964311) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine
PubChem CID176964311
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine
SMILES[H]/N=C/C(=C\C=C)C(C)CCCN
InChIInChI=1S/C10H18N2/c1-3-5-10(8-12)9(2)6-4-7-11/h3,5,8-9,12H,1,4,6-7,11H2,2H3/b10-5+,12-8+
InChIKeyFTODKIGQMARDTI-ULERAKTPSA-N
XLogP2.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
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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Related Compounds

(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
CID 163413862
(4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine
CID 143524867
2-Imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine
CID 89153800
(3Z,5E)-3-methanimidoyl-6-methyl-2-[(Z)-3-methylidenepent-1-enyl]octa-3,5-dien-1-amine
CID 89984177
4-(7-Methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine
CID 91151318
3-Pentan-3-ylhexa-3,5-dien-1-amine
CID 91551966
(4R,6Z)-4-methyl-3-methylidenenona-6,8-dien-1-imine
CID 121307032
3-Methanimidoyl-5-methyloct-5-en-1-amine
CID 123629211
(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine
CID 123670318
2-(2-Ethylcycloprop-2-en-1-yl)-3-iminopropan-1-amine
CID 124095660
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
(5E)-5-ethenyl-2,4-dimethylocta-5,7-dien-1-amine
CID 129212564

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine?
The IUPAC name of (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine (CID 176964311) is (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine.
What is the SMILES notation for (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine?
The canonical SMILES for (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine is [H]/N=C/C(=C\C=C)C(C)CCCN.
What is the InChIKey of (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine?
The InChIKey is FTODKIGQMARDTI-ULERAKTPSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-10(8-12)9(2)6-4-7-11/h3,5,8-9,12H,1,4,6-7,11H2,2H3/b10-5+,12-8+.
What are the key properties of (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine?
(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine is sourced from PubChem (CID 176964311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).