N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C16H31N3 — CID 61230851

IUPACN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)N1CCC(N(C)C2CC3CCC(C2)N3)CC1
InChIInChI=1S/C16H31N3/c1-12(2)19-8-6-15(7-9-19)18(3)16-10-13-4-5-14(11-16)17-13/h12-17H,4-11H2,1-3H3
InChIKeyDSGXSYVWOWYNGU-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.07
Rot. Bonds3

About N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230851) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230851
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)N1CCC(N(C)C2CC3CCC(C2)N3)CC1
InChIInChI=1S/C16H31N3/c1-12(2)19-8-6-15(7-9-19)18(3)16-10-13-4-5-14(11-16)17-13/h12-17H,4-11H2,1-3H3
InChIKeyDSGXSYVWOWYNGU-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231042
N-cyclohexyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 45075231
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230477
N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230843
N-methyl-N-piperidin-3-yl-1-propan-2-ylazepan-4-amine
CID 65077288
N-methyl-N-(3-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231424
N-cyclopropyl-N-methyl-1-propan-2-ylazetidin-3-amine
CID 130218648
N-(1-azabicyclo[3.2.1]octan-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105365541
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 146675589
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
CID 130709624
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpiperidine-1-carboxamide
CID 79155280

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61230851) is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)N1CCC(N(C)C2CC3CCC(C2)N3)CC1.
What is the InChIKey of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DSGXSYVWOWYNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12(2)19-8-6-15(7-9-19)18(3)16-10-13-4-5-14(11-16)17-13/h12-17H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).