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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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
1,3-Cyclopentadiene, 5-[2-(dimethylamino)ethyl]-
CID 546878
2-Diethylaminomethylphenyllithium
CID 21399648
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
N-(cyclohexa-1,3-dien-1-ylmethyl)-1-(2-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 134293845
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
CID 134365665
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
CID 134365675
4-[(2Z,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidine
CID 134365676
4-[(3Z)-5-fluoroocta-1,3-dien-2-yl]-1-methylpiperidine
CID 134365702
(5Z,7E)-7-fluoro-N,3-dimethyl-4-methylidene-N-propylnona-5,7-dien-1-amine
CID 134365787
4-[(3Z,5Z)-7-fluoroocta-3,5,7-trien-4-yl]-1-methylpiperidine
CID 134365789

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).