N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine

C13H21NO — CID 129059990

IUPACN,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
SMILESCC1=CC=CCC=C1OC(C)CN(C)C
InChIInChI=1S/C13H21NO/c1-11-8-6-5-7-9-13(11)15-12(2)10-14(3)4/h5-6,8-9,12H,7,10H2,1-4H3
InChIKeyDJDYJGRHILDRSY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds4

About N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine

N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine (PubChem CID 129059990) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
PubChem CID129059990
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
SMILESCC1=CC=CCC=C1OC(C)CN(C)C
InChIInChI=1S/C13H21NO/c1-11-8-6-5-7-9-13(11)15-12(2)10-14(3)4/h5-6,8-9,12H,7,10H2,1-4H3
InChIKeyDJDYJGRHILDRSY-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine (CID 129059990) is N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine is CC1=CC=CCC=C1OC(C)CN(C)C.
What is the InChIKey of N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine?
The InChIKey is DJDYJGRHILDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-8-6-5-7-9-13(11)15-12(2)10-14(3)4/h5-6,8-9,12H,7,10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine?
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine is sourced from PubChem (CID 129059990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).