N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine

C17H33N3 — CID 79860748

IUPACN-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
SMILESCCNC1C(N2CCC3CCC(C2)N3C)CCC1(C)C
InChIInChI=1S/C17H33N3/c1-5-18-16-15(8-10-17(16,2)3)20-11-9-13-6-7-14(12-20)19(13)4/h13-16,18H,5-12H2,1-4H3
InChIKeyMOUVPSIQXMSZHP-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds3

About N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine (PubChem CID 79860748) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
PubChem CID79860748
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
SMILESCCNC1C(N2CCC3CCC(C2)N3C)CCC1(C)C
InChIInChI=1S/C17H33N3/c1-5-18-16-15(8-10-17(16,2)3)20-11-9-13-6-7-14(12-20)19(13)4/h13-16,18H,5-12H2,1-4H3
InChIKeyMOUVPSIQXMSZHP-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine (CID 79860748) is N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine is CCNC1C(N2CCC3CCC(C2)N3C)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine?
The InChIKey is MOUVPSIQXMSZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-18-16-15(8-10-17(16,2)3)20-11-9-13-6-7-14(12-20)19(13)4/h13-16,18H,5-12H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 79860748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).