(6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine

C13H15N — CID 143373669

IUPAC(6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine
SMILES[H]/N=C1\C=CC2(C)C=C/C(=C/C=C)C12C
InChIInChI=1S/C13H15N/c1-4-5-10-6-8-12(2)9-7-11(14)13(10,12)3/h4-9,14H,1H2,2-3H3/b10-5-,14-11+
InChIKeyAGPYEXSPTQWOQS-PQXZXJPFSA-N
MW185.27 g/mol
LogP3.27
Rot. Bonds1

About (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine

(6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine (PubChem CID 143373669) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine.

Molecular Properties

Compound Name(6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine
PubChem CID143373669
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine
SMILES[H]/N=C1\C=CC2(C)C=C/C(=C/C=C)C12C
InChIInChI=1S/C13H15N/c1-4-5-10-6-8-12(2)9-7-11(14)13(10,12)3/h4-9,14H,1H2,2-3H3/b10-5-,14-11+
InChIKeyAGPYEXSPTQWOQS-PQXZXJPFSA-N
XLogP3.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
6,6a-Dihydropentalene-1,5-diimine
CID 57218159
6aH-pentalen-1-imine
CID 90694057
6,6-Dimethylcyclohepta-2,4-dien-1-imine
CID 91267490
6-Ethyl-6-methylcyclohepta-2,4-dien-1-imine
CID 123235528
4,4-Dimethyl-5-methylidenedec-6-en-2-imine
CID 123271052
(2E,4Z)-3,7-ditert-butylcycloocta-2,4,7-trien-1-imine
CID 123287385
4,4,7-Trimethylnona-5,7-dien-2-imine
CID 123331318
5,6,6-Trimethylcyclohepta-2,4-dien-1-imine
CID 123774936
(4E)-4-ethenyl-3,3,6-trimethylhepta-4,6-dien-2-imine
CID 143577495
(Z,5E)-5-ethylidene-6,6-dimethyloct-3-en-2-imine
CID 145074087

Frequently Asked Questions

What is the IUPAC name of (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine?
The IUPAC name of (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine (CID 143373669) is (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine.
What is the SMILES notation for (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine?
The canonical SMILES for (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine is [H]/N=C1\C=CC2(C)C=C/C(=C/C=C)C12C.
What is the InChIKey of (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine?
The InChIKey is AGPYEXSPTQWOQS-PQXZXJPFSA-N. The full InChI is InChI=1S/C13H15N/c1-4-5-10-6-8-12(2)9-7-11(14)13(10,12)3/h4-9,14H,1H2,2-3H3/b10-5-,14-11+.
What are the key properties of (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine?
(6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine has a molecular weight of 185.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3a,6a-dimethyl-6-prop-2-enylidenepentalen-1-imine is sourced from PubChem (CID 143373669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).