N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide

C12H22N2O — CID 79394178

IUPACN-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
SMILESCC(NCCCC(=O)NC1CC1)C1CC1
InChIInChI=1S/C12H22N2O/c1-9(10-4-5-10)13-8-2-3-12(15)14-11-6-7-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeySEYPUHDPBHSBBB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds7

About N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide

N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide (PubChem CID 79394178) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
PubChem CID79394178
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
SMILESCC(NCCCC(=O)NC1CC1)C1CC1
InChIInChI=1S/C12H22N2O/c1-9(10-4-5-10)13-8-2-3-12(15)14-11-6-7-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeySEYPUHDPBHSBBB-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
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

4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide (CID 79394178) is N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide is CC(NCCCC(=O)NC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide?
The InChIKey is SEYPUHDPBHSBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(10-4-5-10)13-8-2-3-12(15)14-11-6-7-11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide?
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide has a molecular weight of 210.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide is sourced from PubChem (CID 79394178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).