(E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine

C15H20N2 — CID 134299846

IUPAC(E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine
SMILESCC1(C)C=CC=C2N=C(/C=C/N)C(C)(C)C2=C1
InChIInChI=1S/C15H20N2/c1-14(2)8-5-6-12-11(10-14)15(3,4)13(17-12)7-9-16/h5-10H,16H2,1-4H3/b9-7+
InChIKeyUQPQUIJCCSCTGI-VQHVLOKHSA-N
MW228.34 g/mol
LogP3.35
Rot. Bonds1

About (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine

(E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine (PubChem CID 134299846) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine
PubChem CID134299846
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine
SMILESCC1(C)C=CC=C2N=C(/C=C/N)C(C)(C)C2=C1
InChIInChI=1S/C15H20N2/c1-14(2)8-5-6-12-11(10-14)15(3,4)13(17-12)7-9-16/h5-10H,16H2,1-4H3/b9-7+
InChIKeyUQPQUIJCCSCTGI-VQHVLOKHSA-N
XLogP3.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine?
The IUPAC name of (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine (CID 134299846) is (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine.
What is the SMILES notation for (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine?
The canonical SMILES for (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine is CC1(C)C=CC=C2N=C(/C=C/N)C(C)(C)C2=C1.
What is the InChIKey of (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine?
The InChIKey is UQPQUIJCCSCTGI-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H20N2/c1-14(2)8-5-6-12-11(10-14)15(3,4)13(17-12)7-9-16/h5-10H,16H2,1-4H3/b9-7+.
What are the key properties of (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine?
(E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine has a molecular weight of 228.34 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,3,5,5-tetramethylcyclohepta[b]pyrrol-2-yl)ethenamine is sourced from PubChem (CID 134299846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).