[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium

C15H25N2O+ — CID 7440921

IUPAC[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium
SMILESC=CC[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2,11-13,16H,1,3-10H2,(H,17,18)/p+1
InChIKeyVDFSEFFJKNQVLG-UHFFFAOYSA-O
MW249.38 g/mol
LogP0.82
Rot. Bonds5

About [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium

[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium (PubChem CID 7440921) has the molecular formula C15H25N2O+ and a molecular weight of 249.38 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium
PubChem CID7440921
Molecular FormulaC15H25N2O+
Molecular Weight249.38 g/mol
Exact Mass249.20
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium
SMILESC=CC[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2,11-13,16H,1,3-10H2,(H,17,18)/p+1
InChIKeyVDFSEFFJKNQVLG-UHFFFAOYSA-O
XLogP0.82
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,2-bis(1-adamantyl)acetamide
CID 3906383
[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
CID 7971177
N-(1-adamantyl)hexanamide
CID 4687392
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132
N-(1-adamantyl)nonanamide
CID 4685611
N-(1-adamantyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516835
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
N-(1-adamantyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798116
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
[2-(1-adamantylamino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376217
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium (CID 7440921) is [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium is C=CC[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium?
The InChIKey is VDFSEFFJKNQVLG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h2,11-13,16H,1,3-10H2,(H,17,18)/p+1.
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium?
[2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium has a molecular weight of 249.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl]-prop-2-enylazanium is sourced from PubChem (CID 7440921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).