1-methyl-1-aza-4-azanidacycloheptane

C6H13N2- — CID 143249518

IUPAC1-methyl-1-aza-4-azanidacycloheptane
SMILESCN1CCC[N-]CC1
InChIInChI=1S/C6H13N2/c1-8-5-2-3-7-4-6-8/h2-6H2,1H3/q-1
InChIKeyBDAKWVRLDMFCJB-UHFFFAOYSA-N
MW113.18 g/mol
LogP0.70
Rot. Bonds

About 1-methyl-1-aza-4-azanidacycloheptane

1-methyl-1-aza-4-azanidacycloheptane (PubChem CID 143249518) has the molecular formula C6H13N2- and a molecular weight of 113.18 g/mol. Its IUPAC name is 1-methyl-1-aza-4-azanidacycloheptane.

Molecular Properties

Compound Name1-methyl-1-aza-4-azanidacycloheptane
PubChem CID143249518
Molecular FormulaC6H13N2-
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name1-methyl-1-aza-4-azanidacycloheptane
SMILESCN1CCC[N-]CC1
InChIInChI=1S/C6H13N2/c1-8-5-2-3-7-4-6-8/h2-6H2,1H3/q-1
InChIKeyBDAKWVRLDMFCJB-UHFFFAOYSA-N
XLogP0.70
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-1-aza-4-azanidacycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylpiperazin-4-ide;uranium
CID 58228667
carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium
CID 159100546
1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)
CID 139760025
dimethanidyl(dimethyl)silane;1-methylpiperazin-4-ide;titanium(3+)
CID 20687657
1-methylpiperidine
CID 160757527
1-methylpyrrolidine;phosphane
CID 159655297
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1-methylpiperidine
CID 90254979
CID 172772830
CID 172772830
ethane;bis(1-methylpyrrolidine)
CID 153385238
1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride
CID 161028196

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-aza-4-azanidacycloheptane?
The IUPAC name of 1-methyl-1-aza-4-azanidacycloheptane (CID 143249518) is 1-methyl-1-aza-4-azanidacycloheptane.
What is the SMILES notation for 1-methyl-1-aza-4-azanidacycloheptane?
The canonical SMILES for 1-methyl-1-aza-4-azanidacycloheptane is CN1CCC[N-]CC1.
What is the InChIKey of 1-methyl-1-aza-4-azanidacycloheptane?
The InChIKey is BDAKWVRLDMFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2/c1-8-5-2-3-7-4-6-8/h2-6H2,1H3/q-1.
What are the key properties of 1-methyl-1-aza-4-azanidacycloheptane?
1-methyl-1-aza-4-azanidacycloheptane has a molecular weight of 113.18 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-aza-4-azanidacycloheptane is sourced from PubChem (CID 143249518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).