9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H33N3 — CID 105420533

IUPAC9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2CC1(N(C)C)CCC1
InChIInChI=1S/C17H33N3/c1-4-18-14-11-15-7-5-8-16(12-14)20(15)13-17(19(2)3)9-6-10-17/h14-16,18H,4-13H2,1-3H3
InChIKeySFMSTCIYMBSUOI-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds5

About 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 105420533) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID105420533
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2CC1(N(C)C)CCC1
InChIInChI=1S/C17H33N3/c1-4-18-14-11-15-7-5-8-16(12-14)20(15)13-17(19(2)3)9-6-10-17/h14-16,18H,4-13H2,1-3H3
InChIKeySFMSTCIYMBSUOI-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83114315
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
N-ethyl-8-[(1-methylsulfanylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114116951
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-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712214
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
N-[[1-(dimethylamino)cyclopentyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83108296
8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107250
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030

Frequently Asked Questions

What is the IUPAC name of 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 105420533) is 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2CC1(N(C)C)CCC1.
What is the InChIKey of 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is SFMSTCIYMBSUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-18-14-11-15-7-5-8-16(12-14)20(15)13-17(19(2)3)9-6-10-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 105420533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).