N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide

C17H30N2O2 — CID 63287228

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
SMILESCOCCN(CCCN)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O2/c1-21-6-5-19(4-2-3-18)16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12,18H2,1H3
InChIKeyJXVKBXCEXXMUOA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.03
Rot. Bonds7

About N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide

N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide (PubChem CID 63287228) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
PubChem CID63287228
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
SMILESCOCCN(CCCN)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O2/c1-21-6-5-19(4-2-3-18)16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12,18H2,1H3
InChIKeyJXVKBXCEXXMUOA-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide (CID 63287228) is N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide is COCCN(CCCN)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide?
The InChIKey is JXVKBXCEXXMUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-21-6-5-19(4-2-3-18)16(20)17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide is sourced from PubChem (CID 63287228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).