N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C11H18N2 — CID 83208348

IUPACN,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(C)cc21
InChIInChI=1S/C11H18N2/c1-12-11-6-4-3-5-9-7-13(2)8-10(9)11/h7-8,11-12H,3-6H2,1-2H3
InChIKeyOHNIBWWDNBOVCS-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.01
Rot. Bonds1

About N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208348) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208348
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(C)cc21
InChIInChI=1S/C11H18N2/c1-12-11-6-4-3-5-9-7-13(2)8-10(9)11/h7-8,11-12H,3-6H2,1-2H3
InChIKeyOHNIBWWDNBOVCS-UHFFFAOYSA-N
XLogP2.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208348) is N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CNC1CCCCc2cn(C)cc21.
What is the InChIKey of N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is OHNIBWWDNBOVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-12-11-6-4-3-5-9-7-13(2)8-10(9)11/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 178.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).