N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene

C14H23N — CID 142585035

IUPACN-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene
SMILESC.C=CC.C=NC1=C(C)C=CC(C)C=C1
InChIInChI=1S/C10H13N.C3H6.CH4/c1-8-4-6-9(2)10(11-3)7-5-8;1-3-2;/h4-8H,3H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyJDMRKYQCHGPSJM-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.55
Rot. Bonds1

About N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene

N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene (PubChem CID 142585035) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene
PubChem CID142585035
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene
SMILESC.C=CC.C=NC1=C(C)C=CC(C)C=C1
InChIInChI=1S/C10H13N.C3H6.CH4/c1-8-4-6-9(2)10(11-3)7-5-8;1-3-2;/h4-8H,3H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyJDMRKYQCHGPSJM-UHFFFAOYSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6Z,7Z)-6-ethylidene-3-methyl-7-prop-2-enylidenecyclohepta-1,4-diene
CID 171634183
(5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene
CID 163738660
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783
4-methylcyclohexa-2,5-diene-1-thione
CID 129294481
N-(2-ethenyl-1,6-dimethyl-6H-cyclohepta[b]pyrrol-3-yl)ethanimine
CID 167507213
ethane;(7Z)-3-methyl-6-methylidene-7-prop-2-enylidenecyclohepta-1,4-diene;(3Z)-penta-1,3-diene
CID 142528664
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426
methane;prop-1-ene;sulfane
CID 20979358
ethane;methane;bis(prop-1-ene)
CID 159459488
prop-1-ene
CID 162178440
furan-2,5-dione;tetrakis(prop-1-ene)
CID 90659509
1,2,5-trimethylcyclopenta-1,3-diene;zirconium
CID 174480219

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene?
The IUPAC name of N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene (CID 142585035) is N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene.
What is the SMILES notation for N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene?
The canonical SMILES for N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene is C.C=CC.C=NC1=C(C)C=CC(C)C=C1.
What is the InChIKey of N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene?
The InChIKey is JDMRKYQCHGPSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C3H6.CH4/c1-8-4-6-9(2)10(11-3)7-5-8;1-3-2;/h4-8H,3H2,1-2H3;3H,1H2,2H3;1H4.
What are the key properties of N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene?
N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene has a molecular weight of 205.34 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene is sourced from PubChem (CID 142585035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).