methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate

C16H30N2O2 — CID 62739694

IUPACmethyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
SMILESCCCNC1CC2CCC(C1)N2C(C(=O)OC)C(C)C
InChIInChI=1S/C16H30N2O2/c1-5-8-17-12-9-13-6-7-14(10-12)18(13)15(11(2)3)16(19)20-4/h11-15,17H,5-10H2,1-4H3
InChIKeyRJGZFMMQWQPCBP-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds6

About methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate

methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate (PubChem CID 62739694) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
PubChem CID62739694
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
SMILESCCCNC1CC2CCC(C1)N2C(C(=O)OC)C(C)C
InChIInChI=1S/C16H30N2O2/c1-5-8-17-12-9-13-6-7-14(10-12)18(13)15(11(2)3)16(19)20-4/h11-15,17H,5-10H2,1-4H3
InChIKeyRJGZFMMQWQPCBP-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate with MolForge

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Related Compounds

8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
N,N-dimethyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
CID 62738998
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460
3-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanamide
CID 114176601
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
N-propan-2-yl-2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712210
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739307
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
9-(1-methylsulfonylpropan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 64642499
8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738979
2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
CID 106235673

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
The IUPAC name of methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate (CID 62739694) is methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
The canonical SMILES for methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate is CCCNC1CC2CCC(C1)N2C(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
The InChIKey is RJGZFMMQWQPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-8-17-12-9-13-6-7-14(10-12)18(13)15(11(2)3)16(19)20-4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate?
methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate is sourced from PubChem (CID 62739694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).