N-(3-aminopropyl)-2-ethyl-2-methylbutanamide

C10H22N2O — CID 88552246

IUPACN-(3-aminopropyl)-2-ethyl-2-methylbutanamide
SMILESCCC(C)(CC)C(=O)NCCCN
InChIInChI=1S/C10H22N2O/c1-4-10(3,5-2)9(13)12-8-6-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyRRQICQNIAJTDPQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds6

About N-(3-aminopropyl)-2-ethyl-2-methylbutanamide

N-(3-aminopropyl)-2-ethyl-2-methylbutanamide (PubChem CID 88552246) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-ethyl-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-ethyl-2-methylbutanamide
PubChem CID88552246
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(3-aminopropyl)-2-ethyl-2-methylbutanamide
SMILESCCC(C)(CC)C(=O)NCCCN
InChIInChI=1S/C10H22N2O/c1-4-10(3,5-2)9(13)12-8-6-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyRRQICQNIAJTDPQ-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide;N-(3-aminopropyl)-2-methylprop-2-enamide;3-sulfanylpropan-1-ol;hydrochloride
CID 160882492
N-(4-acetamidobutyl)-2-(hydroxymethyl)-2-methylbutanamide
CID 138744699
N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide
CID 88553411
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
N-(3-aminopropyl)propanamide
CID 21290277
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
CID 117235686
N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride
CID 119406829
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-ethyl-2-methylbutanamide?
The IUPAC name of N-(3-aminopropyl)-2-ethyl-2-methylbutanamide (CID 88552246) is N-(3-aminopropyl)-2-ethyl-2-methylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-ethyl-2-methylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-2-ethyl-2-methylbutanamide is CCC(C)(CC)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-ethyl-2-methylbutanamide?
The InChIKey is RRQICQNIAJTDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-10(3,5-2)9(13)12-8-6-7-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of N-(3-aminopropyl)-2-ethyl-2-methylbutanamide?
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-ethyl-2-methylbutanamide is sourced from PubChem (CID 88552246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).