N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide

C12H24N2O2 — CID 114493669

IUPACN-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)C(C)(O)CNCCNC(=O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(3,16)8-13-6-7-14-11(15)10-4-5-10/h9-10,13,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyOGHSTRUREQZHFX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds7

About N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 114493669) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID114493669
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)C(C)(O)CNCCNC(=O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(3,16)8-13-6-7-14-11(15)10-4-5-10/h9-10,13,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyOGHSTRUREQZHFX-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
N-(2-hydroxy-2,3-dimethylbutyl)-3,5-dimethylcyclohexane-1-carboxamide
CID 110021339
N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 113481378
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
CID 114494786
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 113219499
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide (CID 114493669) is N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide is CC(C)C(C)(O)CNCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is OGHSTRUREQZHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)12(3,16)8-13-6-7-14-11(15)10-4-5-10/h9-10,13,16H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 114493669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).