N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide

C15H26N2O2 — CID 131943426

IUPACN-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide
SMILESCCC12CC3CC(O)(C1)CC(C(=O)NCCN)(C3)C2
InChIInChI=1S/C15H26N2O2/c1-2-13-5-11-6-14(8-13,12(18)17-4-3-16)10-15(19,7-11)9-13/h11,19H,2-10,16H2,1H3,(H,17,18)
InChIKeyUHMGWMFIPZGTED-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.17
Rot. Bonds4

About N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide

N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide (PubChem CID 131943426) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide
PubChem CID131943426
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide
SMILESCCC12CC3CC(O)(C1)CC(C(=O)NCCN)(C3)C2
InChIInChI=1S/C15H26N2O2/c1-2-13-5-11-6-14(8-13,12(18)17-4-3-16)10-15(19,7-11)9-13/h11,19H,2-10,16H2,1H3,(H,17,18)
InChIKeyUHMGWMFIPZGTED-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide (CID 131943426) is N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide is CCC12CC3CC(O)(C1)CC(C(=O)NCCN)(C3)C2.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide?
The InChIKey is UHMGWMFIPZGTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-13-5-11-6-14(8-13,12(18)17-4-3-16)10-15(19,7-11)9-13/h11,19H,2-10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide?
N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 131943426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).