1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine

C14H23N — CID 22758171

IUPAC1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine
SMILESCCCC(N)C1CCCC2=C1CC=CC2
InChIInChI=1S/C14H23N/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h3-4,13-14H,2,5-10,15H2,1H3
InChIKeyGKZKCVWESPAECZ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.56
Rot. Bonds3

About 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine

1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine (PubChem CID 22758171) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine
PubChem CID22758171
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine
SMILESCCCC(N)C1CCCC2=C1CC=CC2
InChIInChI=1S/C14H23N/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h3-4,13-14H,2,5-10,15H2,1H3
InChIKeyGKZKCVWESPAECZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.56
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

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CID 89318382
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CID 90382272
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CID 90382274

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine?
The IUPAC name of 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine (CID 22758171) is 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine?
The canonical SMILES for 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine is CCCC(N)C1CCCC2=C1CC=CC2.
What is the InChIKey of 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine?
The InChIKey is GKZKCVWESPAECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h3-4,13-14H,2,5-10,15H2,1H3.
What are the key properties of 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine?
1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,5,8-hexahydronaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 22758171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).