N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine

C14H23N — CID 22758136

IUPACN,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine
SMILESCN(C)CCCC1CCC2=C1CC=CC2
InChIInChI=1S/C14H23N/c1-15(2)11-5-7-13-10-9-12-6-3-4-8-14(12)13/h3-4,13H,5-11H2,1-2H3
InChIKeyVEXLOQPHJLCVHU-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.38
Rot. Bonds4

About N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine

N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine (PubChem CID 22758136) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine
PubChem CID22758136
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine
SMILESCN(C)CCCC1CCC2=C1CC=CC2
InChIInChI=1S/C14H23N/c1-15(2)11-5-7-13-10-9-12-6-3-4-8-14(12)13/h3-4,13H,5-11H2,1-2H3
InChIKeyVEXLOQPHJLCVHU-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.38
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 N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine (CID 22758136) is N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine is CN(C)CCCC1CCC2=C1CC=CC2.
What is the InChIKey of N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
The InChIKey is VEXLOQPHJLCVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-15(2)11-5-7-13-10-9-12-6-3-4-8-14(12)13/h3-4,13H,5-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine?
N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2,3,4,7-tetrahydro-1H-inden-1-yl)propan-1-amine is sourced from PubChem (CID 22758136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).