N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide

C15H22N4O — CID 19599246

IUPACN-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(/N=C(\N)N2CCCC2)c1
InChIInChI=1S/C15H22N4O/c1-2-6-14(20)17-12-7-5-8-13(11-12)18-15(16)19-9-3-4-10-19/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyOYSSANLQHXTXOO-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.47
Rot. Bonds4

About N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide

N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide (PubChem CID 19599246) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide
PubChem CID19599246
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(/N=C(\N)N2CCCC2)c1
InChIInChI=1S/C15H22N4O/c1-2-6-14(20)17-12-7-5-8-13(11-12)18-15(16)19-9-3-4-10-19/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyOYSSANLQHXTXOO-UHFFFAOYSA-N
XLogP2.47
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[amino-[(E)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide
CID 71512309
N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
CID 172751827
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
benzyl N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]carbamate;oxalic acid
CID 19599277
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide
CID 91676069
N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156609246

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide (CID 19599246) is N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(/N=C(\N)N2CCCC2)c1.
What is the InChIKey of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide?
The InChIKey is OYSSANLQHXTXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-6-14(20)17-12-7-5-8-13(11-12)18-15(16)19-9-3-4-10-19/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide?
N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide has a molecular weight of 274.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide is sourced from PubChem (CID 19599246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).