N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

C12H25N3 — CID 105364559

IUPACN-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC1CCN2CCC1C2
InChIInChI=1S/C12H25N3/c1-3-14(2)9-6-13-12-5-8-15-7-4-11(12)10-15/h11-13H,3-10H2,1-2H3
InChIKeyXCIHGRSQZLMXCX-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds5

About N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 105364559) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID105364559
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC1CCN2CCC1C2
InChIInChI=1S/C12H25N3/c1-3-14(2)9-6-13-12-5-8-15-7-4-11(12)10-15/h11-13H,3-10H2,1-2H3
InChIKeyXCIHGRSQZLMXCX-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364941
N-(4-methylsulfanylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364898
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363775
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
CID 105363868
2-[2-[ethyl(methyl)amino]ethylamino]cyclohexan-1-ol
CID 62636782
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915
N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364522
N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364456

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 105364559) is N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNC1CCN2CCC1C2.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is XCIHGRSQZLMXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-14(2)9-6-13-12-5-8-15-7-4-11(12)10-15/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 105364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).