N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine

C11H17N — CID 130192609

IUPACN-methyl-N-propylcyclohepta-1,4,6-trien-1-amine
SMILESCCCN(C)C1=CCC=CC=C1
InChIInChI=1S/C11H17N/c1-3-10-12(2)11-8-6-4-5-7-9-11/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyVIYRAWOEAADOFP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds3

About N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine

N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine (PubChem CID 130192609) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound NameN-methyl-N-propylcyclohepta-1,4,6-trien-1-amine
PubChem CID130192609
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-methyl-N-propylcyclohepta-1,4,6-trien-1-amine
SMILESCCCN(C)C1=CCC=CC=C1
InChIInChI=1S/C11H17N/c1-3-10-12(2)11-8-6-4-5-7-9-11/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyVIYRAWOEAADOFP-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 124175129
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
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Diisopropylaminofulvene
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine (CID 130192609) is N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine is CCCN(C)C1=CCC=CC=C1.
What is the InChIKey of N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is VIYRAWOEAADOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-10-12(2)11-8-6-4-5-7-9-11/h4-6,8-9H,3,7,10H2,1-2H3.
What are the key properties of N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine?
N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 130192609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).