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

C16H32N2 — CID 112681381

IUPAC2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C(C)CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H32N2/c1-5-9-17-16(12(3)6-2)13-10-14-7-8-15(11-13)18(14)4/h12-17H,5-11H2,1-4H3
InChIKeyFWKZZMHSXQWUOQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds6

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

2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine (PubChem CID 112681381) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
PubChem CID112681381
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C(C)CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H32N2/c1-5-9-17-16(12(3)6-2)13-10-14-7-8-15(11-13)18(14)4/h12-17H,5-11H2,1-4H3
InChIKeyFWKZZMHSXQWUOQ-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 112681244
2-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine
CID 112681595
[2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentyl]hydrazine
CID 107895308
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentan-1-ol
CID 107893028
1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104988659
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105017391
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-methyl-N-propylbutan-1-amine
CID 79446358
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115998319
1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
CID 116715897
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine (CID 112681381) is 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine is CCCNC(C(C)CC)C1CC2CCC(C1)N2C.
What is the InChIKey of 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
The InChIKey is FWKZZMHSXQWUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-9-17-16(12(3)6-2)13-10-14-7-8-15(11-13)18(14)4/h12-17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine?
2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 112681381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).