[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

C17H30N3O2+ — CID 8771959

IUPAC[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29N3O2/c1-11(20-16(22)10-19-9-15(21)18-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14,19H,3-10H2,1-2H3,(H,18,21)(H,20,22)/p+1/t11-,12?,13?,14?,17?/m1/s1
InChIKeyHVMWJFCGMCXFDC-SFCYXTAJSA-O
MW308.45 g/mol
LogP0.02
Rot. Bonds6

About [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8771959) has the molecular formula C17H30N3O2+ and a molecular weight of 308.45 g/mol. Its IUPAC name is [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8771959
Molecular FormulaC17H30N3O2+
Molecular Weight308.45 g/mol
Exact Mass308.23
IUPAC Name[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29N3O2/c1-11(20-16(22)10-19-9-15(21)18-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14,19H,3-10H2,1-2H3,(H,18,21)(H,20,22)/p+1/t11-,12?,13?,14?,17?/m1/s1
InChIKeyHVMWJFCGMCXFDC-SFCYXTAJSA-O
XLogP0.02
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
2-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569418
(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide
CID 9372884
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
N-[1-(1-adamantyl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019798

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (CID 8771959) is [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is HVMWJFCGMCXFDC-SFCYXTAJSA-O. The full InChI is InChI=1S/C17H29N3O2/c1-11(20-16(22)10-19-9-15(21)18-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14,19H,3-10H2,1-2H3,(H,18,21)(H,20,22)/p+1/t11-,12?,13?,14?,17?/m1/s1.
What are the key properties of [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 308.45 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8771959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).