3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide

C14H21N3O — CID 54997431

IUPAC3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(CCc1ccccc1)C1CC1)=N/O
InChIInChI=1S/C14H21N3O/c15-14(16-18)9-11-17(13-6-7-13)10-8-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2,(H2,15,16)
InChIKeyIPTJQKRFFKIGML-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.83
Rot. Bonds7

About 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 54997431) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
PubChem CID54997431
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(CCc1ccccc1)C1CC1)=N/O
InChIInChI=1S/C14H21N3O/c15-14(16-18)9-11-17(13-6-7-13)10-8-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2,(H2,15,16)
InChIKeyIPTJQKRFFKIGML-UHFFFAOYSA-N
XLogP1.83
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl(2-phenylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690874
N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
CID 43185342
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
N,N-bis(2-phenylethyl)piperidin-4-amine
CID 118109179
3-[cyclopropyl(3,3,3-trifluoropropyl)amino]-N'-hydroxypropanimidamide
CID 77046533
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
CID 77067845
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
3-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936306
3-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936916
N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide
CID 77013636
3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76911837

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide (CID 54997431) is 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide is N/C(CCN(CCc1ccccc1)C1CC1)=N/O.
What is the InChIKey of 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is IPTJQKRFFKIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(16-18)9-11-17(13-6-7-13)10-8-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2,(H2,15,16).
What are the key properties of 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 247.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54997431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).