N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine

C12H17N — CID 20827637

IUPACN,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
SMILESC/N=C1\CCCC2C=C(C)C=CC12
InChIInChI=1S/C12H17N/c1-9-6-7-11-10(8-9)4-3-5-12(11)13-2/h6-8,10-11H,3-5H2,1-2H3/b13-12+
InChIKeyYKCYYUHRAGVSGZ-OUKQBFOZSA-N
MW175.27 g/mol
LogP2.99
Rot. Bonds

About N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine

N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine (PubChem CID 20827637) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
PubChem CID20827637
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
SMILESC/N=C1\CCCC2C=C(C)C=CC12
InChIInChI=1S/C12H17N/c1-9-6-7-11-10(8-9)4-3-5-12(11)13-2/h6-8,10-11H,3-5H2,1-2H3/b13-12+
InChIKeyYKCYYUHRAGVSGZ-OUKQBFOZSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.99
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

2,3,4,4a,5,5a,9a,10-Octahydrobenzo[g]quinoline
CID 54082294
1,2,3,5,6,6a,10a,10b-Octahydrobenzo[f]quinoline
CID 53959657
(4aS,5aR)-2,3,4,4a,5,5a,9a,10-octahydrobenzo[g]quinoline
CID 54082293
1,2,3,4,6,7,8,10b-Octahydrophenanthridine
CID 57323299
3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 70461624
7-butyl-N-methyl-8-propyl-4,4a,4b,5,6,7,8,8a-octahydro-3H-phenanthren-2-imine
CID 70992306
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
N-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-imine
CID 123443471
(5Z)-5-ethyl-N,3-dimethylnona-5,7-dien-4-imine
CID 123594930
2-ethylidene-N-methyl-6-propan-2-ylcyclohexan-1-imine
CID 123724075
8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline
CID 123731352

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The IUPAC name of N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine (CID 20827637) is N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine.
What is the SMILES notation for N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The canonical SMILES for N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine is C/N=C1\CCCC2C=C(C)C=CC12.
What is the InChIKey of N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
The InChIKey is YKCYYUHRAGVSGZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17N/c1-9-6-7-11-10(8-9)4-3-5-12(11)13-2/h6-8,10-11H,3-5H2,1-2H3/b13-12+.
What are the key properties of N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine?
N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine has a molecular weight of 175.27 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine is sourced from PubChem (CID 20827637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).