N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine

C11H17N — CID 123443471

IUPACN-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine
SMILESC/N=C1/C=C2CCCCC2CC1
InChIInChI=1S/C11H17N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h8-9H,2-7H2,1H3/b12-11+
InChIKeyJKKDSVPOXPIXRZ-VAWYXSNFSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds

About N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine

N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine (PubChem CID 123443471) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine.

Molecular Properties

Compound NameN-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine
PubChem CID123443471
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine
SMILESC/N=C1/C=C2CCCCC2CC1
InChIInChI=1S/C11H17N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h8-9H,2-7H2,1H3/b12-11+
InChIKeyJKKDSVPOXPIXRZ-VAWYXSNFSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2,6-dimethyl-3,5,7,8-tetrahydro-2H-quinoline
CID 57130142
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
(5S,8R)-5-fluoro-8-methyl-2,3,5,6,7,8-hexahydroquinoline
CID 170294076
(5S)-5-fluoro-5-methyl-3,6,7,8-tetrahydro-2H-quinoline
CID 170296705
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 20827637
N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587127
5-cyclohexyl-3-methyl-2H-pyrrole
CID 59087183
(4aS)-2-methyl-2,3,4,4a,5,6-hexahydroquinoline
CID 67595251

Frequently Asked Questions

What is the IUPAC name of N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine?
The IUPAC name of N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine (CID 123443471) is N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine.
What is the SMILES notation for N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine?
The canonical SMILES for N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine is C/N=C1/C=C2CCCCC2CC1.
What is the InChIKey of N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine?
The InChIKey is JKKDSVPOXPIXRZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H17N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h8-9H,2-7H2,1H3/b12-11+.
What are the key properties of N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine?
N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine has a molecular weight of 163.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine is sourced from PubChem (CID 123443471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).