1,2,3,4,4a,5-hexahydronaphthalen-1-amine

C10H15N — CID 139821666

IUPAC1,2,3,4,4a,5-hexahydronaphthalen-1-amine
SMILESNC1CCCC2CC=CC=C12
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,6,8,10H,3-5,7,11H2
InChIKeyMGJRGZAPHCQHBK-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.00
Rot. Bonds

About 1,2,3,4,4a,5-hexahydronaphthalen-1-amine

1,2,3,4,4a,5-hexahydronaphthalen-1-amine (PubChem CID 139821666) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydronaphthalen-1-amine.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydronaphthalen-1-amine
PubChem CID139821666
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,2,3,4,4a,5-hexahydronaphthalen-1-amine
SMILESNC1CCCC2CC=CC=C12
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,6,8,10H,3-5,7,11H2
InChIKeyMGJRGZAPHCQHBK-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
CID 172863415
1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine
CID 174190362
2-cyclohexylcyclohexa-2,4-dien-1-ol
CID 173193560
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
4-cyclopenta-1,3-dien-1-ylcyclooctene
CID 163506625
2,3,3a,4-tetrahydro-1H-indene;ethane-1,2-diol;titanium(2+);dichloride
CID 174467670
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768
3-amino-1,3,4,5,5a,6-hexahydro-1-benzazepin-2-one
CID 172713565
2,3,4,5,5a,6-hexahydro-1H-1-benzazepin-3-amine
CID 172719182
3-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 90700641
1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene
CID 141083969

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydronaphthalen-1-amine?
The IUPAC name of 1,2,3,4,4a,5-hexahydronaphthalen-1-amine (CID 139821666) is 1,2,3,4,4a,5-hexahydronaphthalen-1-amine.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydronaphthalen-1-amine?
The canonical SMILES for 1,2,3,4,4a,5-hexahydronaphthalen-1-amine is NC1CCCC2CC=CC=C12.
What is the InChIKey of 1,2,3,4,4a,5-hexahydronaphthalen-1-amine?
The InChIKey is MGJRGZAPHCQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,6,8,10H,3-5,7,11H2.
What are the key properties of 1,2,3,4,4a,5-hexahydronaphthalen-1-amine?
1,2,3,4,4a,5-hexahydronaphthalen-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.00, 0 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-hexahydronaphthalen-1-amine is sourced from PubChem (CID 139821666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).