N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine

C15H25N — CID 89020559

IUPACN-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESC=C(C)C1=CC(C)C(CN(CC)CC)C=C1
InChIInChI=1S/C15H25N/c1-6-16(7-2)11-15-9-8-14(12(3)4)10-13(15)5/h8-10,13,15H,3,6-7,11H2,1-2,4-5H3
InChIKeyBNKNLPVIKCETII-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine

N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine (PubChem CID 89020559) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
PubChem CID89020559
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESC=C(C)C1=CC(C)C(CN(CC)CC)C=C1
InChIInChI=1S/C15H25N/c1-6-16(7-2)11-15-9-8-14(12(3)4)10-13(15)5/h8-10,13,15H,3,6-7,11H2,1-2,4-5H3
InChIKeyBNKNLPVIKCETII-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine (CID 89020559) is N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine is C=C(C)C1=CC(C)C(CN(CC)CC)C=C1.
What is the InChIKey of N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The InChIKey is BNKNLPVIKCETII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-16(7-2)11-15-9-8-14(12(3)4)10-13(15)5/h8-10,13,15H,3,6-7,11H2,1-2,4-5H3.
What are the key properties of N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine has a molecular weight of 219.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine is sourced from PubChem (CID 89020559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).