1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol

C16H30N2O — CID 103160829

IUPAC1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol
SMILESCN(CC(O)CC1CCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2O/c1-18(11-16(19)8-12-4-2-3-5-12)15-9-13-6-7-14(10-15)17-13/h12-17,19H,2-11H2,1H3
InChIKeyLQKJPXBWIQDTTA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.14
Rot. Bonds5

About 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol

1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol (PubChem CID 103160829) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol
PubChem CID103160829
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol
SMILESCN(CC(O)CC1CCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2O/c1-18(11-16(19)8-12-4-2-3-5-12)15-9-13-6-7-14(10-15)17-13/h12-17,19H,2-11H2,1H3
InChIKeyLQKJPXBWIQDTTA-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
CID 63928214
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol
CID 63933610
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
CID 130709624
N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230844
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61231285
1-cyclopentyl-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 103159770
N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83158606
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324

Frequently Asked Questions

What is the IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol (CID 103160829) is 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol is CN(CC(O)CC1CCCC1)C1CC2CCC(C1)N2.
What is the InChIKey of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol?
The InChIKey is LQKJPXBWIQDTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-18(11-16(19)8-12-4-2-3-5-12)15-9-13-6-7-14(10-15)17-13/h12-17,19H,2-11H2,1H3.
What are the key properties of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol?
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol has a molecular weight of 266.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103160829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).