(Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine

C11H18N2 — CID 134365652

IUPAC(Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine
SMILESCN(C)/C=C\C1=CC=CCCN1C
InChIInChI=1S/C11H18N2/c1-12(2)10-8-11-7-5-4-6-9-13(11)3/h4-5,7-8,10H,6,9H2,1-3H3/b10-8-
InChIKeyQMSBTJBRZGDCSL-NTMALXAHSA-N
MW178.28 g/mol
LogP1.84
Rot. Bonds2

About (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine

(Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine (PubChem CID 134365652) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine
PubChem CID134365652
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine
SMILESCN(C)/C=C\C1=CC=CCCN1C
InChIInChI=1S/C11H18N2/c1-12(2)10-8-11-7-5-4-6-9-13(11)3/h4-5,7-8,10H,6,9H2,1-3H3/b10-8-
InChIKeyQMSBTJBRZGDCSL-NTMALXAHSA-N
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine?
The IUPAC name of (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine (CID 134365652) is (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine.
What is the SMILES notation for (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine?
The canonical SMILES for (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine is CN(C)/C=C\C1=CC=CCCN1C.
What is the InChIKey of (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine?
The InChIKey is QMSBTJBRZGDCSL-NTMALXAHSA-N. The full InChI is InChI=1S/C11H18N2/c1-12(2)10-8-11-7-5-4-6-9-13(11)3/h4-5,7-8,10H,6,9H2,1-3H3/b10-8-.
What are the key properties of (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine?
(Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine has a molecular weight of 178.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2-(1-methyl-2,3-dihydroazepin-7-yl)ethenamine is sourced from PubChem (CID 134365652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).