1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine

C11H21N — CID 22484494

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
SMILESNCC1CCCC2CCCCC12
InChIInChI=1S/C11H21N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h9-11H,1-8,12H2
InChIKeyJVZJZJXWGKZMLQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine (PubChem CID 22484494) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
PubChem CID22484494
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
SMILESNCC1CCCC2CCCCC12
InChIInChI=1S/C11H21N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h9-11H,1-8,12H2
InChIKeyJVZJZJXWGKZMLQ-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

1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethanamine;hydrochloride
CID 170922777
[2-(4-methylcyclohexyl)cyclohexyl]methanamine
CID 81010575
[2-(4-methylcyclohexyl)cyclopentyl]methanamine
CID 81011106
(1R,4aR,8aR)-1-[[(1S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97107678
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
CID 81010799
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
(4-cyclobutylthian-3-yl)methanamine
CID 84769832
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
10-(2-cyclohexylcyclohexyl)decan-1-amine
CID 174822141
(4-cycloheptyloxolan-3-yl)methanamine
CID 84774594

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine (CID 22484494) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine is NCC1CCCC2CCCCC12.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine?
The InChIKey is JVZJZJXWGKZMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h9-11H,1-8,12H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine 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 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine is sourced from PubChem (CID 22484494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).