(4Z)-6-methylnona-4,7-dien-1-yn-3-imine

C10H13N — CID 123759448

IUPAC(4Z)-6-methylnona-4,7-dien-1-yn-3-imine
SMILES[H]/N=C(C#C)/C=C\C(C)C=CC
InChIInChI=1S/C10H13N/c1-4-6-9(3)7-8-10(11)5-2/h2,4,6-9,11H,1,3H3/b6-4?,8-7-,11-10+
InChIKeySROOSHASFCBVRA-IBLKUMEJSA-N
MW147.22 g/mol
LogP2.41
Rot. Bonds3

About (4Z)-6-methylnona-4,7-dien-1-yn-3-imine

(4Z)-6-methylnona-4,7-dien-1-yn-3-imine (PubChem CID 123759448) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (4Z)-6-methylnona-4,7-dien-1-yn-3-imine.

Molecular Properties

Compound Name(4Z)-6-methylnona-4,7-dien-1-yn-3-imine
PubChem CID123759448
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(4Z)-6-methylnona-4,7-dien-1-yn-3-imine
SMILES[H]/N=C(C#C)/C=C\C(C)C=CC
InChIInChI=1S/C10H13N/c1-4-6-9(3)7-8-10(11)5-2/h2,4,6-9,11H,1,3H3/b6-4?,8-7-,11-10+
InChIKeySROOSHASFCBVRA-IBLKUMEJSA-N
XLogP2.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z)-5-ethynyl-1,1,1-trifluorohepta-3,6-dien-2-imine
CID 153635211
(3Z)-5-ethynyl-1,1,1-trifluorohepta-3,6-dien-2-imine
CID 153635212
5-Methylhex-3-en-2-imine
CID 90806182
(2Z,5Z)-7-methylocta-2,5-dien-4-imine
CID 91291747
(Z)-hept-3-en-6-yn-2-imine
CID 91453242
(Z)-5-methylhex-3-en-2-imine
CID 118335229
(3Z)-3,5-dimethylhepta-3,6-dien-2-imine
CID 123185639
(Z)-5-methylhept-3-en-2-imine
CID 123214394
2-Methylocta-1,4-dien-6-yn-3-imine
CID 123433130
(4Z)-6-methylhepta-1,4-dien-3-imine
CID 123604757
5-Ethylhept-4-en-6-yn-2-imine
CID 123648683
(3Z)-3-ethylidenehex-4-yn-2-imine
CID 123706228

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-methylnona-4,7-dien-1-yn-3-imine?
The IUPAC name of (4Z)-6-methylnona-4,7-dien-1-yn-3-imine (CID 123759448) is (4Z)-6-methylnona-4,7-dien-1-yn-3-imine.
What is the SMILES notation for (4Z)-6-methylnona-4,7-dien-1-yn-3-imine?
The canonical SMILES for (4Z)-6-methylnona-4,7-dien-1-yn-3-imine is [H]/N=C(C#C)/C=C\C(C)C=CC.
What is the InChIKey of (4Z)-6-methylnona-4,7-dien-1-yn-3-imine?
The InChIKey is SROOSHASFCBVRA-IBLKUMEJSA-N. The full InChI is InChI=1S/C10H13N/c1-4-6-9(3)7-8-10(11)5-2/h2,4,6-9,11H,1,3H3/b6-4?,8-7-,11-10+.
What are the key properties of (4Z)-6-methylnona-4,7-dien-1-yn-3-imine?
(4Z)-6-methylnona-4,7-dien-1-yn-3-imine has a molecular weight of 147.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-methylnona-4,7-dien-1-yn-3-imine is sourced from PubChem (CID 123759448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).