N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine

C10H15N — CID 167485874

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine
SMILESC=CN(C)CC1=CCCC=C1
InChIInChI=1S/C10H15N/c1-3-11(2)9-10-7-5-4-6-8-10/h3,5,7-8H,1,4,6,9H2,2H3
InChIKeyIMFGXGFIPSLVLX-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.34
Rot. Bonds3

About N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine

N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine (PubChem CID 167485874) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine
PubChem CID167485874
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine
SMILESC=CN(C)CC1=CCCC=C1
InChIInChI=1S/C10H15N/c1-3-11(2)9-10-7-5-4-6-8-10/h3,5,7-8H,1,4,6,9H2,2H3
InChIKeyIMFGXGFIPSLVLX-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine
CID 146512197
2-(cyclohexa-1,5-dien-1-ylmethyl)-1,1-dimethylhydrazine
CID 170005983
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylacetamide
CID 142459410
4-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]benzoic acid
CID 169146694
N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylformamide;1-(2-methylphenyl)cyclohexane-1-carbaldehyde
CID 163377779
2-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]ethanol
CID 173159398
4-[[(4-aminophenyl)methyl-(cyclohexa-1,5-dien-1-ylmethyl)amino]methyl]aniline
CID 138547605
3-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpentan-2-one
CID 178167947
(3R)-2-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-ethyl-5-methylhex-4-ene-2,3-diamine
CID 138495102
(2S)-3-cyclohexa-1,5-dien-1-yl-2-methylpropanal
CID 144910636
CID 145359118
CID 145359118
2-cyclohexa-1,5-dien-1-ylethanethiol
CID 143709620

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine (CID 167485874) is N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine is C=CN(C)CC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
The InChIKey is IMFGXGFIPSLVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-11(2)9-10-7-5-4-6-8-10/h3,5,7-8H,1,4,6,9H2,2H3.
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine has a molecular weight of 149.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine is sourced from PubChem (CID 167485874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).