(3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol

C18H31NO2 — CID 162839928

IUPAC(3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol
SMILESCC1(C)OC2(C3CCCC3)CC3CCC(CO)C(N)(C2)C31
InChIInChI=1S/C18H31NO2/c1-16(2)15-12-7-8-14(10-20)18(15,19)11-17(9-12,21-16)13-5-3-4-6-13/h12-15,20H,3-11,19H2,1-2H3
InChIKeyBHZOVCLUZDPBDV-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.85
Rot. Bonds2

About (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol

(3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol (PubChem CID 162839928) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol.

Molecular Properties

Compound Name(3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol
PubChem CID162839928
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol
SMILESCC1(C)OC2(C3CCCC3)CC3CCC(CO)C(N)(C2)C31
InChIInChI=1S/C18H31NO2/c1-16(2)15-12-7-8-14(10-20)18(15,19)11-17(9-12,21-16)13-5-3-4-6-13/h12-15,20H,3-11,19H2,1-2H3
InChIKeyBHZOVCLUZDPBDV-UHFFFAOYSA-N
XLogP2.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R,4S,7S,8R)-3-amino-1-[(7R,9S)-7-[(2-amino-1,2-dihydropyridin-5-yl)methyl]spiro[4.5]decan-9-yl]-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl]methanol
CID 163169223
[3-amino-1-[7-[(2-amino-1,2-dihydropyridin-5-yl)methyl]spiro[4.5]decan-9-yl]-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl]methanol
CID 163169222
[(1R,2R,6S,7S,18S,19R,22S,23R,24S,25S,28R)-23-amino-28-(6-aminopiperidin-3-yl)-25-cyclopentyl-25-methylspiro[26-oxaoctacyclo[21.3.1.16,10.01,18.02,7.08,17.09,14.019,24]octacosane-4,1'-cyclopentane]-22-yl]methanol
CID 163154467
1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine
CID 162991752
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
CID 17039395
[(1R,3S)-3-[(1S,4R,5R)-5-amino-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-1-yl]cyclohexyl]methanol
CID 162828806
3-amino-3-cycloheptyl-1-methylcyclobutan-1-ol
CID 115021199
(1R,2R,6R,17S,18R,19R,22S,23R,24R)-18-amino-24-cyclopentyl-19-(hydroxymethyl)-24-methylspiro[25-oxahexacyclo[20.3.1.12,6.01,17.08,13.018,23]heptacosa-8(13),9,11-trien-15-yne-4,1'-cyclopentane]-11-ol
CID 162833164
18-amino-19-(hydroxymethyl)-24,24-dimethyl-9-(propylaminomethyl)-25-oxahexacyclo[20.3.1.12,6.01,17.08,13.018,23]heptacosa-8(13),9,11-trien-15-yn-11-ol
CID 163098343
1-cyclopentyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961137
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
[(1R,2R,6S,7S,18S,19R,22S,23R,24S,25S,28R)-28-(6-aminopiperidin-1-ium-3-yl)-25-cyclopentyl-22-(hydroxymethyl)-25-methylspiro[26-oxaoctacyclo[21.3.1.16,10.01,18.02,7.08,17.09,14.019,24]octacosane-4,1'-cyclopentane]-23-yl]azanium
CID 163154466

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol?
The IUPAC name of (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol (CID 162839928) is (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol.
What is the SMILES notation for (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol?
The canonical SMILES for (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol is CC1(C)OC2(C3CCCC3)CC3CCC(CO)C(N)(C2)C31.
What is the InChIKey of (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol?
The InChIKey is BHZOVCLUZDPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-16(2)15-12-7-8-14(10-20)18(15,19)11-17(9-12,21-16)13-5-3-4-6-13/h12-15,20H,3-11,19H2,1-2H3.
What are the key properties of (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol?
(3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol has a molecular weight of 293.45 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol is sourced from PubChem (CID 162839928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).