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

C15H27N — CID 104987663

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C15H27N/c1-2-3-8-15(16)14-10-9-12-6-4-5-7-13(12)11-14/h2,12-15H,1,3-11,16H2
InChIKeyYTJAPMRTLXHWJS-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.89
Rot. Bonds4

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine (PubChem CID 104987663) 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)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine
PubChem CID104987663
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)pent-4-en-1-amine
SMILESC=CCCC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C15H27N/c1-2-3-8-15(16)14-10-9-12-6-4-5-7-13(12)11-14/h2,12-15H,1,3-11,16H2
InChIKeyYTJAPMRTLXHWJS-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine (CID 104987663) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine is C=CCCC(N)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine?
The InChIKey is YTJAPMRTLXHWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-3-8-15(16)14-10-9-12-6-4-5-7-13(12)11-14/h2,12-15H,1,3-11,16H2.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pent-4-en-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.89, 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)pent-4-en-1-amine is sourced from PubChem (CID 104987663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).