N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide

C11H22N2O — CID 97095660

IUPACN-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
SMILESCC[C@H](C)CNCCNC(=O)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)8-12-6-7-13-11(14)10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyIJMGZJBLGNKTQC-VIFPVBQESA-N
MW198.31 g/mol
LogP1.15
Rot. Bonds7

About N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 97095660) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID97095660
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
SMILESCC[C@H](C)CNCCNC(=O)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)8-12-6-7-13-11(14)10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyIJMGZJBLGNKTQC-VIFPVBQESA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.15
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

2-(2-methylbutylamino)ethylurea
CID 83109541
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 113219499
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide (CID 97095660) is N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide is CC[C@H](C)CNCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is IJMGZJBLGNKTQC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9(2)8-12-6-7-13-11(14)10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 97095660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).