(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine

C10H15N — CID 130238736

IUPAC(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine
SMILESC#C/C=C\C(=N/C)C(C)(C)C
InChIInChI=1S/C10H15N/c1-6-7-8-9(11-5)10(2,3)4/h1,7-8H,2-5H3/b8-7-,11-9+
InChIKeyNJWLLUWSYPPKKA-NSXXKTIASA-N
MW149.24 g/mol
LogP2.29
Rot. Bonds1

About (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine

(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine (PubChem CID 130238736) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine.

Molecular Properties

Compound Name(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine
PubChem CID130238736
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine
SMILESC#C/C=C\C(=N/C)C(C)(C)C
InChIInChI=1S/C10H15N/c1-6-7-8-9(11-5)10(2,3)4/h1,7-8H,2-5H3/b8-7-,11-9+
InChIKeyNJWLLUWSYPPKKA-NSXXKTIASA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,2,2,7,7-pentamethyl-6-methylideneoct-4-en-3-imine
CID 169243501
(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 87414942
N,2,2,5,6,6-hexamethylhept-4-en-3-imine
CID 123161539
(Z)-2-methylhex-3-en-5-yn-2-ol
CID 10701797
pent-2-en-4-ynoic acid
CID 54170005
(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne
CID 143197303
2-methyl-3-methyliminopent-4-en-2-ol
CID 145069918
ethyl (Z)-pent-2-en-4-ynoate
CID 10887897
(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine
CID 170583082
(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne
CID 154982226
(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne
CID 53381529
(3Z)-hexa-1,3-dien-5-yne-1,1-diamine
CID 165093546

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine?
The IUPAC name of (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine (CID 130238736) is (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine.
What is the SMILES notation for (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine?
The canonical SMILES for (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine is C#C/C=C\C(=N/C)C(C)(C)C.
What is the InChIKey of (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine?
The InChIKey is NJWLLUWSYPPKKA-NSXXKTIASA-N. The full InChI is InChI=1S/C10H15N/c1-6-7-8-9(11-5)10(2,3)4/h1,7-8H,2-5H3/b8-7-,11-9+.
What are the key properties of (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine?
(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine has a molecular weight of 149.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine is sourced from PubChem (CID 130238736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).