4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine

C15H23N — CID 58587147

IUPAC4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
SMILES[H]/N=C1\CC(C(=C)C)CC2(C)C1=CCCC2C
InChIInChI=1S/C15H23N/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,16H,1,5-6,8-9H2,2-4H3/b16-14+
InChIKeyZPQYZLAODPIPJX-JQIJEIRASA-N
MW217.36 g/mol
LogP4.35
Rot. Bonds1

About 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine

4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine (PubChem CID 58587147) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine.

Molecular Properties

Compound Name4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
PubChem CID58587147
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
SMILES[H]/N=C1\CC(C(=C)C)CC2(C)C1=CCCC2C
InChIInChI=1S/C15H23N/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,16H,1,5-6,8-9H2,2-4H3/b16-14+
InChIKeyZPQYZLAODPIPJX-JQIJEIRASA-N
XLogP4.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.35
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'}

Analyze 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,7R)-8-(2-fluorobutyl)-4a,7,10-trimethyl-3,4,4b,5,6,7,8,8a,9,10-decahydrophenanthren-2-imine
CID 68058013
3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
(NE)-N-(1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene)hydroxylamine
CID 6392683
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
(NZ)-N-(4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 58587062
5-(Chloromethyl)-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587093
N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587127
3-(Cyclohexen-1-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587129
4a,5-Dimethyl-3-(3-methylbut-2-en-2-yl)-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587135
(NZ)-N-[(4aR)-4a-methyl-5,6-di(propan-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 59842303
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105

Frequently Asked Questions

What is the IUPAC name of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The IUPAC name of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine (CID 58587147) is 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine.
What is the SMILES notation for 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The canonical SMILES for 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine is [H]/N=C1\CC(C(=C)C)CC2(C)C1=CCCC2C.
What is the InChIKey of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
The InChIKey is ZPQYZLAODPIPJX-JQIJEIRASA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,16H,1,5-6,8-9H2,2-4H3/b16-14+.
What are the key properties of 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine?
4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine is sourced from PubChem (CID 58587147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).