[3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium

C10H23N2O+ — CID 20608663

IUPAC[3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium
SMILESCC(C)(C)CCCNC(=O)CC[NH3+]
InChIInChI=1S/C10H22N2O/c1-10(2,3)6-4-8-12-9(13)5-7-11/h4-8,11H2,1-3H3,(H,12,13)/p+1
InChIKeyFNSGAIOBSRQCHK-UHFFFAOYSA-O
MW187.31 g/mol
LogP0.56
Rot. Bonds5

About [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium

[3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium (PubChem CID 20608663) has the molecular formula C10H23N2O+ and a molecular weight of 187.31 g/mol. Its IUPAC name is [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium.

Molecular Properties

Compound Name[3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium
PubChem CID20608663
Molecular FormulaC10H23N2O+
Molecular Weight187.31 g/mol
Exact Mass187.18
IUPAC Name[3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium
SMILESCC(C)(C)CCCNC(=O)CC[NH3+]
InChIInChI=1S/C10H22N2O/c1-10(2,3)6-4-8-12-9(13)5-7-11/h4-8,11H2,1-3H3,(H,12,13)/p+1
InChIKeyFNSGAIOBSRQCHK-UHFFFAOYSA-O
XLogP0.56
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propionamide, 3-(dimethylamino)-N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 3024638
1-(aminomethyl)-N-ethylcyclobutane-1-carboxamide
CID 80587173
1,5-Diazacycloundecan-2-one
CID 101771384
1-N,1-N'-di(propan-2-yl)cyclobutane-1,1-dicarboxamide
CID 84587642
N-acetyl-6,6-dimethylheptylamine
CID 129807064
2,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide
CID 4341893
N,2,2-Triethylbutyramide
CID 101046
N-Ethyl-2,2,4-trimethylvaleramide
CID 101047
Propanamide, 3-amino-N-(5-aminopentyl)-
CID 184808
N-[(2R)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979428
N-[(1R)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979432
N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979434

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium?
The IUPAC name of [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium (CID 20608663) is [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium.
What is the SMILES notation for [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium?
The canonical SMILES for [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium is CC(C)(C)CCCNC(=O)CC[NH3+].
What is the InChIKey of [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium?
The InChIKey is FNSGAIOBSRQCHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)6-4-8-12-9(13)5-7-11/h4-8,11H2,1-3H3,(H,12,13)/p+1.
What are the key properties of [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium?
[3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium has a molecular weight of 187.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylpentylamino)-3-oxopropyl]azanium is sourced from PubChem (CID 20608663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).