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

C15H27N — CID 105004863

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C15H27N/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h9,12-15H,3-8,10,16H2,1-2H3
InChIKeyLNFLFFUQNBHNLE-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.89
Rot. Bonds2

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine (PubChem CID 105004863) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
PubChem CID105004863
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C15H27N/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h9,12-15H,3-8,10,16H2,1-2H3
InChIKeyLNFLFFUQNBHNLE-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine
CID 79178186
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
CID 104992511
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
CID 115840546
1-[4-[3-[amino(hydroxy)methyl]cyclohexyl]cyclohexyl]ethanol
CID 71170446
3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine
CID 131181781
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylhydrazine
CID 105282551
2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 154554041
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
CID 107893950
3-methyl-1-(oxan-2-yl)but-2-en-1-amine
CID 105004859
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 104994252

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine (CID 105004863) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine is CC(C)=CC(N)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine?
The InChIKey is LNFLFFUQNBHNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14/h9,12-15H,3-8,10,16H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.89, 2 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)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 105004863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).