N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

C11H21N — CID 56978359

IUPACN-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESCNC1CCCC2CCCCC21
InChIInChI=1S/C11H21N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h9-12H,2-8H2,1H3
InChIKeyMPJRHOIEPUMOGI-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds1

About N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (PubChem CID 56978359) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
PubChem CID56978359
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESCNC1CCCC2CCCCC21
InChIInChI=1S/C11H21N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h9-12H,2-8H2,1H3
InChIKeyMPJRHOIEPUMOGI-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The IUPAC name of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (CID 56978359) is N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is CNC1CCCC2CCCCC21.
What is the InChIKey of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The InChIKey is MPJRHOIEPUMOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h9-12H,2-8H2,1H3.
What are the key properties of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is sourced from PubChem (CID 56978359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).