(2E)-1,3-dimethyl-1-azacycloundec-2-ene

C12H23N — CID 163450609

IUPAC(2E)-1,3-dimethyl-1-azacycloundec-2-ene
SMILESC/C1=C\N(C)CCCCCCCC1
InChIInChI=1S/C12H23N/c1-12-9-7-5-3-4-6-8-10-13(2)11-12/h11H,3-10H2,1-2H3/b12-11+
InChIKeyBGGSNOLCZJKNOL-VAWYXSNFSA-N
MW181.32 g/mol
LogP3.57
Rot. Bonds

About (2E)-1,3-dimethyl-1-azacycloundec-2-ene

(2E)-1,3-dimethyl-1-azacycloundec-2-ene (PubChem CID 163450609) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2E)-1,3-dimethyl-1-azacycloundec-2-ene.

Molecular Properties

Compound Name(2E)-1,3-dimethyl-1-azacycloundec-2-ene
PubChem CID163450609
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2E)-1,3-dimethyl-1-azacycloundec-2-ene
SMILESC/C1=C\N(C)CCCCCCCC1
InChIInChI=1S/C12H23N/c1-12-9-7-5-3-4-6-8-10-13(2)11-12/h11H,3-10H2,1-2H3/b12-11+
InChIKeyBGGSNOLCZJKNOL-VAWYXSNFSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-1,3-dimethyl-1-azacycloundec-2-ene?
The IUPAC name of (2E)-1,3-dimethyl-1-azacycloundec-2-ene (CID 163450609) is (2E)-1,3-dimethyl-1-azacycloundec-2-ene.
What is the SMILES notation for (2E)-1,3-dimethyl-1-azacycloundec-2-ene?
The canonical SMILES for (2E)-1,3-dimethyl-1-azacycloundec-2-ene is C/C1=C\N(C)CCCCCCCC1.
What is the InChIKey of (2E)-1,3-dimethyl-1-azacycloundec-2-ene?
The InChIKey is BGGSNOLCZJKNOL-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H23N/c1-12-9-7-5-3-4-6-8-10-13(2)11-12/h11H,3-10H2,1-2H3/b12-11+.
What are the key properties of (2E)-1,3-dimethyl-1-azacycloundec-2-ene?
(2E)-1,3-dimethyl-1-azacycloundec-2-ene has a molecular weight of 181.32 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,3-dimethyl-1-azacycloundec-2-ene is sourced from PubChem (CID 163450609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).