2-[(2-methylpropylamino)methyl]adamantan-2-ol

C15H27NO — CID 62774728

IUPAC2-[(2-methylpropylamino)methyl]adamantan-2-ol
SMILESCC(C)CNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27NO/c1-10(2)8-16-9-15(17)13-4-11-3-12(6-13)7-14(15)5-11/h10-14,16-17H,3-9H2,1-2H3
InChIKeyOMCPNPJGTODWGO-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.42
Rot. Bonds4

About 2-[(2-methylpropylamino)methyl]adamantan-2-ol

2-[(2-methylpropylamino)methyl]adamantan-2-ol (PubChem CID 62774728) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(2-methylpropylamino)methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[(2-methylpropylamino)methyl]adamantan-2-ol
PubChem CID62774728
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(2-methylpropylamino)methyl]adamantan-2-ol
SMILESCC(C)CNCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27NO/c1-10(2)8-16-9-15(17)13-4-11-3-12(6-13)7-14(15)5-11/h10-14,16-17H,3-9H2,1-2H3
InChIKeyOMCPNPJGTODWGO-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(propan-2-ylamino)methyl]adamantan-2-ol
CID 62774121
2-[(2-hydroxyethylamino)methyl]adamantan-2-ol chloride
CID 53314508
3,5-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64735795
2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64756673
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562
N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 106930723
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
N-[(2-hydroxy-2-adamantyl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95129660
2-methyl-N-[(2-methyloxetan-2-yl)methyl]propan-1-amine
CID 166557187
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
1-[(2-methylpropylamino)methyl]-4-propylcyclohexan-1-ol
CID 62774717
2-ethyladamantan-2-ol;2-propan-2-yladamantan-2-ol;prop-2-enoic acid
CID 174905992

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropylamino)methyl]adamantan-2-ol?
The IUPAC name of 2-[(2-methylpropylamino)methyl]adamantan-2-ol (CID 62774728) is 2-[(2-methylpropylamino)methyl]adamantan-2-ol.
What is the SMILES notation for 2-[(2-methylpropylamino)methyl]adamantan-2-ol?
The canonical SMILES for 2-[(2-methylpropylamino)methyl]adamantan-2-ol is CC(C)CNCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[(2-methylpropylamino)methyl]adamantan-2-ol?
The InChIKey is OMCPNPJGTODWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10(2)8-16-9-15(17)13-4-11-3-12(6-13)7-14(15)5-11/h10-14,16-17H,3-9H2,1-2H3.
What are the key properties of 2-[(2-methylpropylamino)methyl]adamantan-2-ol?
2-[(2-methylpropylamino)methyl]adamantan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropylamino)methyl]adamantan-2-ol is sourced from PubChem (CID 62774728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).