9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H34N2 — CID 106329570

IUPAC9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)(CC)CC
InChIInChI=1S/C17H34N2/c1-5-11-18-14-12-15-9-8-10-16(13-14)19(15)17(4,6-2)7-3/h14-16,18H,5-13H2,1-4H3
InChIKeyDWMWQIMBXJHGOY-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds6

About 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106329570) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106329570
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)(CC)CC
InChIInChI=1S/C17H34N2/c1-5-11-18-14-12-15-9-8-10-16(13-14)19(15)17(4,6-2)7-3/h14-16,18H,5-13H2,1-4H3
InChIKeyDWMWQIMBXJHGOY-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

2,2,2',2',6,6,6',6'-Octamethyl(1,4'-bipiperidin)-4-amine
CID 161842
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 11008150
2,2,6,6-Tetramethyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)-4-piperidinamine
CID 566708
1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine;hydrochloride
CID 45263293
9-Methyl-9-azabicyclo(3.3.1)nonan-3-amine
CID 14403175
1-Methyl-9-azabicyclo[3.3.1]nonane
CID 10630570
N1,N6-Bis(1,2,2,6,6-pentamethylpiperidin-4-YL)hexane-1,6-diamine
CID 11235549
1-Methyl-1,9-diazaspiro[5.5]undecane
CID 82413065
(1R,2S,3S,5S)-2-fluoro-N,1,5,9-tetramethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 167305854
(1-Pentadecyl-piperidin-4-yl)-piperidin-4-yl-amine; trihydrochloride
CID 11641883
(2R,6R,7S)-7-butyl-2-pentyl-1,8-diazaspiro[5.5]undecane
CID 11140515
4-Methyl-1-(2-piperidin-2-yl-ethyl)-piperidine
CID 4114077

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 106329570) is 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2C(C)(CC)CC.
What is the InChIKey of 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DWMWQIMBXJHGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-11-18-14-12-15-9-8-10-16(13-14)19(15)17(4,6-2)7-3/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106329570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).