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

C15H23NO — CID 58587144

IUPAC1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol
SMILES[H]/N=C1\C(O)C(C(=C)C)CC2(C)C(C)CC=CC12
InChIInChI=1S/C15H23NO/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)13(16)14(11)17/h5,7,10-12,14,16-17H,1,6,8H2,2-4H3/b16-13-
InChIKeyISQPNMSKOIGFPF-SSZFMOIBSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds1

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

1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol (PubChem CID 58587144) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol
PubChem CID58587144
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol
SMILES[H]/N=C1\C(O)C(C(=C)C)CC2(C)C(C)CC=CC12
InChIInChI=1S/C15H23NO/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)13(16)14(11)17/h5,7,10-12,14,16-17H,1,6,8H2,2-4H3/b16-13-
InChIKeyISQPNMSKOIGFPF-SSZFMOIBSA-N
XLogP3.18
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.18
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-2,3,4,5,6,8a-hexahydronaphthalen-2-ol with MolForge

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Related Compounds

4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione
CID 58587136
1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
CID 58587060
5-(bromomethyl)-2-hydroxy-4a-methyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
CID 58587067
3-[(E)-but-2-en-2-yl]-2-methoxy-4a,5-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
CID 58587109
4a,5-bis(chloromethyl)-2-hydroxy-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-one
CID 58587155
7-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 78173699
trans-(1S,2R)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
CID 130927341
4,5-bis(prop-1-en-2-yl)cyclohexene
CID 168967391
(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
CID 130990108
(3aR,4S,7aS)-3a,4-dimethyl-3,4,5,7a-tetrahydro-1-benzofuran-2-one
CID 169408899
2'-methoxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,6,7-tetrahydro-1H-indene-2,3'-oxolane]-1-ol
CID 123927001
3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene
CID 556206

Frequently Asked Questions

What is the IUPAC name of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol?
The IUPAC name of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol (CID 58587144) is 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol.
What is the SMILES notation for 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol?
The canonical SMILES for 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol is [H]/N=C1\C(O)C(C(=C)C)CC2(C)C(C)CC=CC12.
What is the InChIKey of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol?
The InChIKey is ISQPNMSKOIGFPF-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H23NO/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)13(16)14(11)17/h5,7,10-12,14,16-17H,1,6,8H2,2-4H3/b16-13-.
What are the key properties of 1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol?
1-imino-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-2-ol has a molecular weight of 233.35 g/mol, XLogP of 3.18, 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-2,3,4,5,6,8a-hexahydronaphthalen-2-ol is sourced from PubChem (CID 58587144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).