3-ethenyl-N,6,6-trimethylazepin-2-amine

C11H16N2 — CID 143533139

IUPAC3-ethenyl-N,6,6-trimethylazepin-2-amine
SMILESC=CC1=C(NC)N=CC(C)(C)C=C1
InChIInChI=1S/C11H16N2/c1-5-9-6-7-11(2,3)8-13-10(9)12-4/h5-8,12H,1H2,2-4H3
InChIKeyQDLNJHGBVVWAEB-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.27
Rot. Bonds2

About 3-ethenyl-N,6,6-trimethylazepin-2-amine

3-ethenyl-N,6,6-trimethylazepin-2-amine (PubChem CID 143533139) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-ethenyl-N,6,6-trimethylazepin-2-amine.

Molecular Properties

Compound Name3-ethenyl-N,6,6-trimethylazepin-2-amine
PubChem CID143533139
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-ethenyl-N,6,6-trimethylazepin-2-amine
SMILESC=CC1=C(NC)N=CC(C)(C)C=C1
InChIInChI=1S/C11H16N2/c1-5-9-6-7-11(2,3)8-13-10(9)12-4/h5-8,12H,1H2,2-4H3
InChIKeyQDLNJHGBVVWAEB-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
2-ethyl-N,6,6-trimethylazepin-3-amine
CID 138573251
(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-1H-pyrimidine
CID 141985325
(2Z)-5-methyl-2-(4-methylcyclohepta-2,4,6-trien-1-ylidene)-5,6-dihydro-1H-pyrimidine
CID 141985331
N,6,6-trimethylazepin-2-amine
CID 141989137
N-methyl-1-(2,6,6-trimethylazepin-3-yl)methanamine
CID 142078579
N-methyl-1-(3-methyl-6-propan-2-ylazepin-3-yl)methanamine
CID 142450090
3,6,6-Trimethylazepin-2-amine
CID 142606851
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine;ethane
CID 143591504
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[2,3-b]azepine
CID 143591505
N,6-dimethyl-3-prop-2-enyl-4H-azepin-2-amine
CID 143711834
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
CID 143838514

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N,6,6-trimethylazepin-2-amine?
The IUPAC name of 3-ethenyl-N,6,6-trimethylazepin-2-amine (CID 143533139) is 3-ethenyl-N,6,6-trimethylazepin-2-amine.
What is the SMILES notation for 3-ethenyl-N,6,6-trimethylazepin-2-amine?
The canonical SMILES for 3-ethenyl-N,6,6-trimethylazepin-2-amine is C=CC1=C(NC)N=CC(C)(C)C=C1.
What is the InChIKey of 3-ethenyl-N,6,6-trimethylazepin-2-amine?
The InChIKey is QDLNJHGBVVWAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-9-6-7-11(2,3)8-13-10(9)12-4/h5-8,12H,1H2,2-4H3.
What are the key properties of 3-ethenyl-N,6,6-trimethylazepin-2-amine?
3-ethenyl-N,6,6-trimethylazepin-2-amine has a molecular weight of 176.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N,6,6-trimethylazepin-2-amine is sourced from PubChem (CID 143533139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).