N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine

C11H19N — CID 155181808

IUPACN-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESCCN(C)CC1C=CC(C)=CC1
InChIInChI=1S/C11H19N/c1-4-12(3)9-11-7-5-10(2)6-8-11/h5-7,11H,4,8-9H2,1-3H3
InChIKeyUHUGYUQJUBRSSP-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.46
Rot. Bonds3

About N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine

N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine (PubChem CID 155181808) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
PubChem CID155181808
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESCCN(C)CC1C=CC(C)=CC1
InChIInChI=1S/C11H19N/c1-4-12(3)9-11-7-5-10(2)6-8-11/h5-7,11H,4,8-9H2,1-3H3
InChIKeyUHUGYUQJUBRSSP-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The IUPAC name of N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine (CID 155181808) is N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine is CCN(C)CC1C=CC(C)=CC1.
What is the InChIKey of N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The InChIKey is UHUGYUQJUBRSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-12(3)9-11-7-5-10(2)6-8-11/h5-7,11H,4,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine?
N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine has a molecular weight of 165.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine is sourced from PubChem (CID 155181808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).