2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine

C12H17N — CID 143195302

IUPAC2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine
SMILESC=CC1=C(N(C)C)C=C(C)C=CC1
InChIInChI=1S/C12H17N/c1-5-11-8-6-7-10(2)9-12(11)13(3)4/h5-7,9H,1,8H2,2-4H3
InChIKeyOEBOUVCVSSEZRI-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.89
Rot. Bonds2

About 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine

2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine (PubChem CID 143195302) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine
PubChem CID143195302
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine
SMILESC=CC1=C(N(C)C)C=C(C)C=CC1
InChIInChI=1S/C12H17N/c1-5-11-8-6-7-10(2)9-12(11)13(3)4/h5-7,9H,1,8H2,2-4H3
InChIKeyOEBOUVCVSSEZRI-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
1,2-bis(ethenyl)-3-methylidenecyclohexa-1,4-diene
CID 145268237
1-ethenyl-2-[(E)-2-iodoprop-1-enyl]cyclopenta-1,3-diene
CID 155001714
(2,4-dimethylcyclohepta-1,3,5-trien-1-yl)phosphane
CID 123672408
8-ethenyl-N-methyl-7H-naphthalen-1-imine
CID 146638891
ethane;1-ethoxy-4-methylcyclohepta-1,3,5-triene
CID 164862064
(3Z,5Z)-4,8-dimethyl-2-methylidene-7H-1-benzoxonine
CID 167169788
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732
acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine
CID 143275435
4-methyl-1-propan-2-yloxycyclohepta-1,3,5-triene
CID 171648958
6-butan-2-ylidene-2-methylcyclohexa-1,3-diene
CID 123474573
4-methylcyclohepta-1,3,5-trien-1-amine;molecular hydrogen
CID 143190843

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine (CID 143195302) is 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine is C=CC1=C(N(C)C)C=C(C)C=CC1.
What is the InChIKey of 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is OEBOUVCVSSEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-5-11-8-6-7-10(2)9-12(11)13(3)4/h5-7,9H,1,8H2,2-4H3.
What are the key properties of 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine?
2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,N,6-trimethylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 143195302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).