N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine

C12H15N — CID 142050492

IUPACN-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine
SMILESC=C/C=c1/c(CNC)cccc1=C
InChIInChI=1S/C12H15N/c1-4-6-12-10(2)7-5-8-11(12)9-13-3/h4-8,13H,1-2,9H2,3H3/b12-6+
InChIKeyRXTBXMFVFTUVKT-WUXMJOGZSA-N
MW173.26 g/mol
LogP0.78
Rot. Bonds3

About N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine

N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 142050492) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine
PubChem CID142050492
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine
SMILESC=C/C=c1/c(CNC)cccc1=C
InChIInChI=1S/C12H15N/c1-4-6-12-10(2)7-5-8-11(12)9-13-3/h4-8,13H,1-2,9H2,3H3/b12-6+
InChIKeyRXTBXMFVFTUVKT-WUXMJOGZSA-N
XLogP0.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine with MolForge

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Related Compounds

1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
(6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene
CID 146252305
1-[(4Z,5E)-4-ethylidene-1-methyl-5-prop-2-enylidenepyrrol-3-yl]-N-methylmethanamine
CID 142942535
N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine
CID 62441319
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
acetylene;1-ethenyl-2-[[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methyl]-4-[3-(2-methylpropyl)phenyl]benzene;methanol;propane
CID 142932946
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
CID 15288422
2-[2-(methylaminomethyl)phenyl]acetaldehyde
CID 54060686
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
N-methyl-2-(methylaminomethyl)aniline
CID 576504
[2-(methylaminomethyl)phenyl] prop-2-enoate
CID 175008557
1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
CID 135394469

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine (CID 142050492) is N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine is C=C/C=c1/c(CNC)cccc1=C.
What is the InChIKey of N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is RXTBXMFVFTUVKT-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H15N/c1-4-6-12-10(2)7-5-8-11(12)9-13-3/h4-8,13H,1-2,9H2,3H3/b12-6+.
What are the key properties of N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine?
N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 173.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 142050492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).