1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine

C12H18N2 — CID 142987087

IUPAC1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C/C1=N/C=C\C/C=C\C=C/C1
InChIInChI=1S/C12H18N2/c1-14(2)11-12-9-7-5-3-4-6-8-10-13-12/h3-5,7-8,10H,6,9,11H2,1-2H3/b4-3-,7-5-,10-8-,13-12+
InChIKeySRLYRDPQOQQLFK-IWXWNRPFSA-N
MW190.29 g/mol
LogP2.41
Rot. Bonds2

About 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine

1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine (PubChem CID 142987087) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine
PubChem CID142987087
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C/C1=N/C=C\C/C=C\C=C/C1
InChIInChI=1S/C12H18N2/c1-14(2)11-12-9-7-5-3-4-6-8-10-13-12/h3-5,7-8,10H,6,9,11H2,1-2H3/b4-3-,7-5-,10-8-,13-12+
InChIKeySRLYRDPQOQQLFK-IWXWNRPFSA-N
XLogP2.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine (CID 142987087) is 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine is CN(C)C/C1=N/C=C\C/C=C\C=C/C1.
What is the InChIKey of 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SRLYRDPQOQQLFK-IWXWNRPFSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)11-12-9-7-5-3-4-6-8-10-13-12/h3-5,7-8,10H,6,9,11H2,1-2H3/b4-3-,7-5-,10-8-,13-12+.
What are the key properties of 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine?
1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 190.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z,9Z)-3,8-dihydroazecin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 142987087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).