1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine

C16H31N — CID 107893950

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1CCC2CCCCC2C1
InChIInChI=1S/C16H31N/c1-3-6-12(2)16(17)15-10-9-13-7-4-5-8-14(13)11-15/h12-16H,3-11,17H2,1-2H3
InChIKeyOHCDMFMHNSAJPJ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.36
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine (PubChem CID 107893950) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
PubChem CID107893950
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)C1CCC2CCCCC2C1
InChIInChI=1S/C16H31N/c1-3-6-12(2)16(17)15-10-9-13-7-4-5-8-14(13)11-15/h12-16H,3-11,17H2,1-2H3
InChIKeyOHCDMFMHNSAJPJ-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine with MolForge

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
2-methyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 107896549
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
2-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 107893917
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
CID 115781927
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hexylhydrazine
CID 105294571
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylhydrazine
CID 105282551
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
CID 83906614
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
2-methyl-1-(oxan-2-yl)pentan-1-amine
CID 107893762

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine (CID 107893950) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine is CCCC(C)C(N)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine?
The InChIKey is OHCDMFMHNSAJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-6-12(2)16(17)15-10-9-13-7-4-5-8-14(13)11-15/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 107893950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).