8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C13H26N2 — CID 62738418

IUPAC8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C13H26N2/c1-4-7-14-11-8-12-5-6-13(9-11)15(12)10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyNPNAWPPWCJUFFO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds4

About 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738418) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738418
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C13H26N2/c1-4-7-14-11-8-12-5-6-13(9-11)15(12)10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyNPNAWPPWCJUFFO-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
(1R,5S)-8-propan-2-yl-N-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 177148556
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738998
methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 62739694
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739307
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
9-[1-(diethylamino)propan-2-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714544
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62738418) is 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2C(C)C.
What is the InChIKey of 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NPNAWPPWCJUFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-7-14-11-8-12-5-6-13(9-11)15(12)10(2)3/h10-14H,4-9H2,1-3H3.
What are the key properties of 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).