1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

C15H25NO — CID 58587060

IUPAC1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILES[H]/N=C1\C(O)C(C(=C)C)CC2(C)C(C)CCCC12
InChIInChI=1S/C15H25NO/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)13(16)14(11)17/h10-12,14,16-17H,1,5-8H2,2-4H3/b16-13-
InChIKeyVSYWJGNVGJHTGG-SSZFMOIBSA-N
MW235.37 g/mol
LogP3.41
Rot. Bonds1

About 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (PubChem CID 58587060) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
PubChem CID58587060
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
SMILES[H]/N=C1\C(O)C(C(=C)C)CC2(C)C(C)CCCC12
InChIInChI=1S/C15H25NO/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)13(16)14(11)17/h10-12,14,16-17H,1,5-8H2,2-4H3/b16-13-
InChIKeyVSYWJGNVGJHTGG-SSZFMOIBSA-N
XLogP3.41
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol 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

1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol
CID 58587144
2-hydroxy-4a,5-dimethyl-3-(3-methylbut-2-en-2-yl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 58587154
(3S,4aR,5S,8aS)-3-ethyl-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-1,2-dione
CID 91138214
(1R,2S,4aR,8S,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 91489543
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
7-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 78173699
2-(8,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl)prop-2-enoic acid
CID 78173225
ethyl (2S,3aS,7S,7aR)-7,7a-dimethyl-3-oxo-2,3a,4,5,6,7-hexahydro-1H-indene-2-carboxylate
CID 10857527
1-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
CID 162987530
(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one
CID 10898883
(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
CID 130990108
(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 59882806

Frequently Asked Questions

What is the IUPAC name of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The IUPAC name of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol (CID 58587060) is 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol.
What is the SMILES notation for 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The canonical SMILES for 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is [H]/N=C1\C(O)C(C(=C)C)CC2(C)C(C)CCCC12.
What is the InChIKey of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
The InChIKey is VSYWJGNVGJHTGG-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H25NO/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)13(16)14(11)17/h10-12,14,16-17H,1,5-8H2,2-4H3/b16-13-.
What are the key properties of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol?
1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol is sourced from PubChem (CID 58587060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).