N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine

C13H20N2 — CID 142827481

IUPACN-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine
SMILESC=NC1=C(N(C)CC)C=CC(C)(C)C=C1
InChIInChI=1S/C13H20N2/c1-6-15(5)12-8-10-13(2,3)9-7-11(12)14-4/h7-10H,4,6H2,1-3,5H3
InChIKeyPLGVBHGJWHANCX-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.00
Rot. Bonds3

About N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine

N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine (PubChem CID 142827481) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine
PubChem CID142827481
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine
SMILESC=NC1=C(N(C)CC)C=CC(C)(C)C=C1
InChIInChI=1S/C13H20N2/c1-6-15(5)12-8-10-13(2,3)9-7-11(12)14-4/h7-10H,4,6H2,1-3,5H3
InChIKeyPLGVBHGJWHANCX-UHFFFAOYSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,10,10-Tetramethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,5,8,11-pentaene
CID 129267323
2-methanimidoyl-N,N,6,6-tetramethylazepin-3-amine
CID 134292011
ethane;N-(6-ethenyl-1-methyl-3,4-dihydro-2H-pyridin-5-yl)methanimine
CID 143157788
N-methyl-N-[(3Z)-4-(methylideneamino)hexa-1,3,5-trien-3-yl]cyclohepta-1,4,6-trien-1-amine
CID 143444944
methanimine;2-N,2-N,5,5-tetramethylcyclohepta-1,3,6-triene-1,2-diamine
CID 143681794
N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143744517
ethane;N-(5-ethenyl-1-methyl-2,3-dihydropyrrol-4-yl)methanimine
CID 143760381
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143785546
ethane;N-(5-ethenyl-1-ethyl-2,3-dihydropyrrol-4-yl)methanimine
CID 143785555
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143785621
1,6,6-Trimethyl-2,3-dihydropyrrolo[3,2-b]azepine
CID 143857704
ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
CID 143857751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine (CID 142827481) is N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine is C=NC1=C(N(C)CC)C=CC(C)(C)C=C1.
What is the InChIKey of N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is PLGVBHGJWHANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-15(5)12-8-10-13(2,3)9-7-11(12)14-4/h7-10H,4,6H2,1-3,5H3.
What are the key properties of N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine?
N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,5,5-trimethyl-2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 142827481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).