N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C17H30N2O — CID 83209096

IUPACN-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(CCOCCC(C)C)cc21
InChIInChI=1S/C17H30N2O/c1-14(2)8-10-20-11-9-19-12-15-6-4-5-7-17(18-3)16(15)13-19/h12-14,17-18H,4-11H2,1-3H3
InChIKeyFFPDBOKBLGERMM-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.54
Rot. Bonds7

About N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83209096) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83209096
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(CCOCCC(C)C)cc21
InChIInChI=1S/C17H30N2O/c1-14(2)8-10-20-11-9-19-12-15-6-4-5-7-17(18-3)16(15)13-19/h12-14,17-18H,4-11H2,1-3H3
InChIKeyFFPDBOKBLGERMM-UHFFFAOYSA-N
XLogP3.54
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83209096) is N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CNC1CCCCc2cn(CCOCCC(C)C)cc21.
What is the InChIKey of N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is FFPDBOKBLGERMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)8-10-20-11-9-19-12-15-6-4-5-7-17(18-3)16(15)13-19/h12-14,17-18H,4-11H2,1-3H3.
What are the key properties of N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 278.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylbutoxy)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83209096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).