6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine

C13H21NO — CID 130420897

IUPAC6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)N(CCC)C1=CCCC=C1OC
InChIInChI=1S/C13H21NO/c1-5-10-14(11(2)3)12-8-6-7-9-13(12)15-4/h8-9H,2,5-7,10H2,1,3-4H3
InChIKeyLGJRYNAYQGGJEQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.44
Rot. Bonds5

About 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine

6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine (PubChem CID 130420897) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
PubChem CID130420897
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)N(CCC)C1=CCCC=C1OC
InChIInChI=1S/C13H21NO/c1-5-10-14(11(2)3)12-8-6-7-9-13(12)15-4/h8-9H,2,5-7,10H2,1,3-4H3
InChIKeyLGJRYNAYQGGJEQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine (CID 130420897) is 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine is C=C(C)N(CCC)C1=CCCC=C1OC.
What is the InChIKey of 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine?
The InChIKey is LGJRYNAYQGGJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-10-14(11(2)3)12-8-6-7-9-13(12)15-4/h8-9H,2,5-7,10H2,1,3-4H3.
What are the key properties of 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine?
6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 130420897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).