N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide

C18H35N5O — CID 111326982

IUPACN-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C18H35N5O/c1-4-19-18(20-9-5-6-17(24)21-16-7-8-16)23-12-10-22(11-13-23)14-15(2)3/h15-16H,4-14H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyXIHJYUZFUAOWBA-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.28
Rot. Bonds8

About N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide

N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide (PubChem CID 111326982) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide
PubChem CID111326982
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC NameN-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)N1CCN(CC(C)C)CC1
InChIInChI=1S/C18H35N5O/c1-4-19-18(20-9-5-6-17(24)21-16-7-8-16)23-12-10-22(11-13-23)14-15(2)3/h15-16H,4-14H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyXIHJYUZFUAOWBA-UHFFFAOYSA-N
XLogP1.28
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 110956221
N-cyclopropyl-4-[[ethylamino-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]methylidene]amino]butanamide;hydroiodide
CID 111412071
N-cyclopropyl-4-[[ethylamino-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]butanamide
CID 111218425
N-cyclopropyl-4-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 110961628
N-cyclopropyl-4-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 111145045
N-cyclopropyl-4-[[ethylamino-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methylidene]amino]butanamide
CID 111378444
N-cyclopropyl-4-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]butanamide;hydroiodide
CID 109487892
N-cyclopropyl-4-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]butanamide
CID 111219601
N-cyclopropyl-4-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]butanamide;hydroiodide
CID 111148810
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide (CID 111326982) is N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide is CCN/C(=N\CCCC(=O)NC1CC1)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide?
The InChIKey is XIHJYUZFUAOWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c1-4-19-18(20-9-5-6-17(24)21-16-7-8-16)23-12-10-22(11-13-23)14-15(2)3/h15-16H,4-14H2,1-3H3,(H,19,20)(H,21,24).
What are the key properties of N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide?
N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide has a molecular weight of 337.51 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide is sourced from PubChem (CID 111326982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).