3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine

C12H25N3 — CID 83024792

IUPAC3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
SMILESCCNC1CC2CCCC(C1)N2N(C)C
InChIInChI=1S/C12H25N3/c1-4-13-10-8-11-6-5-7-12(9-10)15(11)14(2)3/h10-13H,4-9H2,1-3H3
InChIKeyFNKLLWUFFDGNKU-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.46
Rot. Bonds3

About 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine

3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine (PubChem CID 83024792) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine.

Molecular Properties

Compound Name3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
PubChem CID83024792
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
SMILESCCNC1CC2CCCC(C1)N2N(C)C
InChIInChI=1S/C12H25N3/c1-4-13-10-8-11-6-5-7-12(9-10)15(11)14(2)3/h10-13H,4-9H2,1-3H3
InChIKeyFNKLLWUFFDGNKU-UHFFFAOYSA-N
XLogP1.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024603
9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 105420533
N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329578
N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712214
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030
N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 83024701
2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol
CID 62712947

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
The IUPAC name of 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine (CID 83024792) is 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine.
What is the SMILES notation for 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
The canonical SMILES for 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine is CCNC1CC2CCCC(C1)N2N(C)C.
What is the InChIKey of 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
The InChIKey is FNKLLWUFFDGNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-13-10-8-11-6-5-7-12(9-10)15(11)14(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine has a molecular weight of 211.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine is sourced from PubChem (CID 83024792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).