[2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol

C16H27NO2 — CID 64758498

IUPAC[2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol
SMILESOCC1(NCC2CCCO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO2/c18-10-16(17-9-15-2-1-3-19-15)13-5-11-4-12(7-13)8-14(16)6-11/h11-15,17-18H,1-10H2
InChIKeyQGRVRTNNFVPRRB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.94
Rot. Bonds4

About [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol

[2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol (PubChem CID 64758498) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol.

Molecular Properties

Compound Name[2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol
PubChem CID64758498
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name[2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol
SMILESOCC1(NCC2CCCO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H27NO2/c18-10-16(17-9-15-2-1-3-19-15)13-5-11-4-12(7-13)8-14(16)6-11/h11-15,17-18H,1-10H2
InChIKeyQGRVRTNNFVPRRB-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
[1-(oxolan-2-ylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82856515
[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
CID 61047764
2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
CID 6457745
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64756379
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol?
The IUPAC name of [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol (CID 64758498) is [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol.
What is the SMILES notation for [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol?
The canonical SMILES for [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol is OCC1(NCC2CCCO2)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol?
The InChIKey is QGRVRTNNFVPRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-10-16(17-9-15-2-1-3-19-15)13-5-11-4-12(7-13)8-14(16)6-11/h11-15,17-18H,1-10H2.
What are the key properties of [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol?
[2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-ylmethylamino)-2-adamantyl]methanol is sourced from PubChem (CID 64758498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).