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

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Related Compounds

N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329578
N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712605
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 106277918
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
1-(3-methylpentan-3-yl)-N-propylpiperidin-3-amine
CID 106329682
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
8-(2-methylcyclopentyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63281615
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79630966

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).