N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

C12H25N3 — CID 79174779

IUPACN-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCCNCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C12H25N3/c1-3-13-7-9-15-8-6-11-4-5-12(10-15)14(11)2/h11-13H,3-10H2,1-2H3
InChIKeyXHQVTQLWXIEBFU-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.76
Rot. Bonds4

About N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (PubChem CID 79174779) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
PubChem CID79174779
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCCNCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C12H25N3/c1-3-13-7-9-15-8-6-11-4-5-12(10-15)14(11)2/h11-13H,3-10H2,1-2H3
InChIKeyXHQVTQLWXIEBFU-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine 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

3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
CID 79118522
4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170174
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
CID 79175374
3-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170964
3-(4-bromobutyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175266
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
CID 79175495
ethyl 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79163894
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
2-(ethylamino)-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (CID 79174779) is N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is CCNCCN1CCC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The InChIKey is XHQVTQLWXIEBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-13-7-9-15-8-6-11-4-5-12(10-15)14(11)2/h11-13H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is sourced from PubChem (CID 79174779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).