4-(2-Amino)ethyladamant-1-ol

C12H21NO — CID 129768406

IUPAC4-(1-aminoethyl)adamantan-1-ol
SMILESCC(C1C2CC3CC1CC(C3)(C2)O)N
InChIInChI=1S/C12H21NO/c1-7(13)11-9-2-8-3-10(11)6-12(14,4-8)5-9/h7-11,14H,2-6,13H2,1H3
InChIKeyKQNFDYPCBFVCAO-UHFFFAOYSA-N
MW195.30 g/mol
LogP1.40
Rot. Bonds1

About 4-(2-Amino)ethyladamant-1-ol

4-(2-Amino)ethyladamant-1-ol (PubChem CID 129768406) has the molecular formula C12H21NO and a molecular weight of 195.30 g/mol. Its IUPAC name is 4-(1-aminoethyl)adamantan-1-ol.

Molecular Properties

Compound Name4-(2-Amino)ethyladamant-1-ol
PubChem CID129768406
Molecular FormulaC12H21NO
Molecular Weight195.30 g/mol
Exact Mass195.16
IUPAC Name4-(1-aminoethyl)adamantan-1-ol
SMILESCC(C1C2CC3CC1CC(C3)(C2)O)N
InChIInChI=1S/C12H21NO/c1-7(13)11-9-2-8-3-10(11)6-12(14,4-8)5-9/h7-11,14H,2-6,13H2,1H3
InChIKeyKQNFDYPCBFVCAO-UHFFFAOYSA-N
XLogP1.40
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity237

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Aminoethyl)adamantan-1-ol hydrochloride
CID 2769977
2-(2-Amino-ethyl)-adamantan-2-ol
CID 6484554
3-(1-Aminoethyl)adamantan-1-ol
CID 2769978
3-(2-Aminopropyl)adamantan-1-ol
CID 516158
3-(1-Aminopropyl)-1-adamantanol hydrochloride
CID 2828195
3-(1-Amino-propyl)-adamantan-1-ol
CID 2828196
4-(1-Aminobut-2-yl)adamantan-1-ol
CID 129768405
4-(Aminomethyl)adamantan-1-ol
CID 51029993
4-(2-Amino)ethyladamantan-1-ol
CID 129765266
4-(1-Aminopropan-2-yl)adamantan-1-ol
CID 129765587
2-Amino-4-(fluoromethyl)adamantan-1-ol
CID 67054472
3-(1-Aminoethyl)adamantan-1-ol chloride
CID 45918278

Frequently Asked Questions

What is the IUPAC name of 4-(2-Amino)ethyladamant-1-ol?
The IUPAC name of 4-(2-Amino)ethyladamant-1-ol (CID 129768406) is 4-(1-aminoethyl)adamantan-1-ol.
What is the SMILES notation for 4-(2-Amino)ethyladamant-1-ol?
The canonical SMILES for 4-(2-Amino)ethyladamant-1-ol is CC(C1C2CC3CC1CC(C3)(C2)O)N.
What is the InChIKey of 4-(2-Amino)ethyladamant-1-ol?
The InChIKey is KQNFDYPCBFVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-7(13)11-9-2-8-3-10(11)6-12(14,4-8)5-9/h7-11,14H,2-6,13H2,1H3.
What are the key properties of 4-(2-Amino)ethyladamant-1-ol?
4-(2-Amino)ethyladamant-1-ol has a molecular weight of 195.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-Amino)ethyladamant-1-ol is sourced from PubChem (CID 129768406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).