3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine

C15H25N — CID 21436137

IUPAC3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1C=CCC2=C1CCCC2
InChIInChI=1S/C15H25N/c1-16(2)12-6-10-14-9-5-8-13-7-3-4-11-15(13)14/h5,9,14H,3-4,6-8,10-12H2,1-2H3
InChIKeyQICWLQGECANEKN-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds4

About 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine

3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 21436137) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID21436137
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1C=CCC2=C1CCCC2
InChIInChI=1S/C15H25N/c1-16(2)12-6-10-14-9-5-8-13-7-3-4-11-15(13)14/h5,9,14H,3-4,6-8,10-12H2,1-2H3
InChIKeyQICWLQGECANEKN-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
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 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine (CID 21436137) is 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCC1C=CCC2=C1CCCC2.
What is the InChIKey of 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is QICWLQGECANEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-16(2)12-6-10-14-9-5-8-13-7-3-4-11-15(13)14/h5,9,14H,3-4,6-8,10-12H2,1-2H3.
What are the key properties of 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine?
3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 21436137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).