N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine

C10H16N2 — CID 83208086

IUPACN-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2c[nH]cc21
InChIInChI=1S/C10H16N2/c1-11-10-5-3-2-4-8-6-12-7-9(8)10/h6-7,10-12H,2-5H2,1H3
InChIKeyNZEDZWYMSKBSCT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.00
Rot. Bonds1

About N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine

N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine (PubChem CID 83208086) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine
PubChem CID83208086
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2c[nH]cc21
InChIInChI=1S/C10H16N2/c1-11-10-5-3-2-4-8-6-12-7-9(8)10/h6-7,10-12H,2-5H2,1H3
InChIKeyNZEDZWYMSKBSCT-UHFFFAOYSA-N
XLogP2.00
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208348
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
4,5,6,7-tetrahydro-2H-isoindol-4-ol
CID 83207791
5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile
CID 83207690
N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83207683
methyl 4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butanoate
CID 83208652
N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62730070
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208461
N-methyl-2-(4,4,4-trifluorobutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208454
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine (CID 83208086) is N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine is CNC1CCCCc2c[nH]cc21.
What is the InChIKey of N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine?
The InChIKey is NZEDZWYMSKBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-10-5-3-2-4-8-6-12-7-9(8)10/h6-7,10-12H,2-5H2,1H3.
What are the key properties of N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine?
N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine has a molecular weight of 164.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).