N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine

C12H21N — CID 166853690

IUPACN-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine
SMILESC=NC1CC2(C)CCCCC2(C)C1
InChIInChI=1S/C12H21N/c1-11-6-4-5-7-12(11,2)9-10(8-11)13-3/h10H,3-9H2,1-2H3
InChIKeyCDAJAGYYAAHGFV-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.44
Rot. Bonds1

About N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine

N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine (PubChem CID 166853690) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine.

Molecular Properties

Compound NameN-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine
PubChem CID166853690
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine
SMILESC=NC1CC2(C)CCCCC2(C)C1
InChIInChI=1S/C12H21N/c1-11-6-4-5-7-12(11,2)9-10(8-11)13-3/h10H,3-9H2,1-2H3
InChIKeyCDAJAGYYAAHGFV-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.44
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

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine
CID 18712740
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine
CID 130979819
(2S,3S)-2,3-dimethylspiro[4.4]nonane
CID 58622704
(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 54221269
N-cyclohexylmethanimine;ethane
CID 91081056
N-cyclobutylmethanimine
CID 123570693
spiro[4.4]nonane
CID 90780660
(3S)-7,7-dimethyl-3-(methylideneamino)azepan-2-one
CID 59118695
ethane;2-methylspiro[3.5]nonane
CID 164868147
1-methyl-1-[1-(1-methylcyclohexyl)cyclopentyl]cyclohexane
CID 91349498
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278

Frequently Asked Questions

What is the IUPAC name of N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine?
The IUPAC name of N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine (CID 166853690) is N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine.
What is the SMILES notation for N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine?
The canonical SMILES for N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine is C=NC1CC2(C)CCCCC2(C)C1.
What is the InChIKey of N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine?
The InChIKey is CDAJAGYYAAHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11-6-4-5-7-12(11,2)9-10(8-11)13-3/h10H,3-9H2,1-2H3.
What are the key properties of N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine?
N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)methanimine is sourced from PubChem (CID 166853690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).