4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine

C23H37N — CID 142963435

IUPAC4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine
SMILES[H]/N=C1\C=C2CCC(C)C(CCC3(C)C(C)CC[C@H]3C)C2(C)CC1=C
InChIInChI=1S/C23H37N/c1-15-7-10-19-13-21(24)16(2)14-23(19,6)20(15)11-12-22(5)17(3)8-9-18(22)4/h13,15,17-18,20,24H,2,7-12,14H2,1,3-6H3/b24-21+/t15?,17-,18?,20?,22?,23?/m1/s1
InChIKeyGDOKOQFWLMIAHR-NWSPXFQJSA-N
MW327.56 g/mol
LogP6.80
Rot. Bonds3

About 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine

4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine (PubChem CID 142963435) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine.

Molecular Properties

Compound Name4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine
PubChem CID142963435
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine
SMILES[H]/N=C1\C=C2CCC(C)C(CCC3(C)C(C)CC[C@H]3C)C2(C)CC1=C
InChIInChI=1S/C23H37N/c1-15-7-10-19-13-21(24)16(2)14-23(19,6)20(15)11-12-22(5)17(3)8-9-18(22)4/h13,15,17-18,20,24H,2,7-12,14H2,1,3-6H3/b24-21+/t15?,17-,18?,20?,22?,23?/m1/s1
InChIKeyGDOKOQFWLMIAHR-NWSPXFQJSA-N
XLogP6.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.80
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-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethanol
CID 53255344
5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene
CID 143661955
5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 70995371
(2S)-3-[2-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
CID 162984767
(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
CID 157314245
(4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 176717300
4-(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-2-methylbutanoic acid
CID 73192063
(4aR,7S)-4a,7-dimethyl-7-propanimidoyl-4,4b,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one
CID 146655075
2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10831179
(8S,9S,10S,13S,14R,17S)-17-hydroxy-10,13,17-trimethyl-2-methylidene-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CID 7213717
(8E)-8-ethylidene-9,12,13-trimethyl-7,16-dimethylidenetricyclo[11.4.0.05,9]heptadec-1(17)-ene
CID 142920022
(3R,4aR,5S)-4a,5-dimethyl-3-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 11218249

Frequently Asked Questions

What is the IUPAC name of 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine?
The IUPAC name of 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine (CID 142963435) is 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine.
What is the SMILES notation for 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine?
The canonical SMILES for 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine is [H]/N=C1\C=C2CCC(C)C(CCC3(C)C(C)CC[C@H]3C)C2(C)CC1=C.
What is the InChIKey of 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine?
The InChIKey is GDOKOQFWLMIAHR-NWSPXFQJSA-N. The full InChI is InChI=1S/C23H37N/c1-15-7-10-19-13-21(24)16(2)14-23(19,6)20(15)11-12-22(5)17(3)8-9-18(22)4/h13,15,17-18,20,24H,2,7-12,14H2,1,3-6H3/b24-21+/t15?,17-,18?,20?,22?,23?/m1/s1.
What are the key properties of 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine?
4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine has a molecular weight of 327.56 g/mol, XLogP of 6.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6-dimethyl-3-methylidene-5-[2-[(2R)-1,2,5-trimethylcyclopentyl]ethyl]-5,6,7,8-tetrahydro-4H-naphthalen-2-imine is sourced from PubChem (CID 142963435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).