[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol

C12H23NO — CID 134166319

IUPAC[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol
SMILESCC(C)NC12CCC(CO)(CC1)CC2
InChIInChI=1S/C12H23NO/c1-10(2)13-12-6-3-11(9-14,4-7-12)5-8-12/h10,13-14H,3-9H2,1-2H3
InChIKeyRTRDHBAINCXFAH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds3

About [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol

[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 134166319) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID134166319
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol
SMILESCC(C)NC12CCC(CO)(CC1)CC2
InChIInChI=1S/C12H23NO/c1-10(2)13-12-6-3-11(9-14,4-7-12)5-8-12/h10,13-14H,3-9H2,1-2H3
InChIKeyRTRDHBAINCXFAH-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol with MolForge

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Related Compounds

[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231
[2-(propan-2-ylamino)oxolan-2-yl]methanol
CID 146535477
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 86114329
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
[4-(hydroxymethyl)-1-bicyclo[2.2.1]heptanyl]carbamic acid
CID 67549106
[3-(propan-2-ylamino)thian-3-yl]methanol
CID 62872201
[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754508
CID 148887826
CID 148887826
[4-(propan-2-ylamino)-1-propylpiperidin-4-yl]methanol
CID 61049791
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513
3-tert-butyl-N-propan-2-ylbicyclo[1.1.1]pentan-1-amine
CID 168724986

Frequently Asked Questions

What is the IUPAC name of [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol (CID 134166319) is [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol is CC(C)NC12CCC(CO)(CC1)CC2.
What is the InChIKey of [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is RTRDHBAINCXFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-12-6-3-11(9-14,4-7-12)5-8-12/h10,13-14H,3-9H2,1-2H3.
What are the key properties of [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol?
[4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propan-2-ylamino)-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 134166319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).