(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine

C11H21N — CID 83980314

IUPAC(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
SMILESCC1CCC2CCCCC12CN
InChIInChI=1S/C11H21N/c1-9-5-6-10-4-2-3-7-11(9,10)8-12/h9-10H,2-8,12H2,1H3
InChIKeyCUIUBTLQWIOKPE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds1

About (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine

(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine (PubChem CID 83980314) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
PubChem CID83980314
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
SMILESCC1CCC2CCCCC12CN
InChIInChI=1S/C11H21N/c1-9-5-6-10-4-2-3-7-11(9,10)8-12/h9-10H,2-8,12H2,1H3
InChIKeyCUIUBTLQWIOKPE-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(aminomethyl)-2-cyclohexylcyclohexyl]methanamine
CID 171792538
1,1-di(cyclooctyl)cyclooctane
CID 23107007
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
11-methylspiro[5.5]undecan-5-amine
CID 138665061
(1-cyclopropylcyclopropyl)cyclopentane
CID 57169070
(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine
CID 130224974
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
1,1a,2,3,4,4a,5,6,7,8-decahydrocyclopropa[j]naphthalene
CID 548931
2-(bromomethyl)-8-methylspiro[2.5]octane
CID 81351055
1-cycloheptyl-2-methylcyclohexan-1-amine
CID 82931177
(1-cyclopropylcyclooctyl)methanamine
CID 130515109

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine?
The IUPAC name of (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine (CID 83980314) is (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine?
The canonical SMILES for (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine is CC1CCC2CCCCC12CN.
What is the InChIKey of (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine?
The InChIKey is CUIUBTLQWIOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-5-6-10-4-2-3-7-11(9,10)8-12/h9-10H,2-8,12H2,1H3.
What are the key properties of (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine?
(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine is sourced from PubChem (CID 83980314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).