N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide

C13H28N4O — CID 54998200

IUPACN'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
SMILESCC(C)N(CCCN1CCCC1)CC/C(N)=N/O
InChIInChI=1S/C13H28N4O/c1-12(2)17(11-6-13(14)15-18)10-5-9-16-7-3-4-8-16/h12,18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyCNSFWNIUWOUXGW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.32
Rot. Bonds8

About N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide

N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide (PubChem CID 54998200) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
PubChem CID54998200
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
SMILESCC(C)N(CCCN1CCCC1)CC/C(N)=N/O
InChIInChI=1S/C13H28N4O/c1-12(2)17(11-6-13(14)15-18)10-5-9-16-7-3-4-8-16/h12,18H,3-11H2,1-2H3,(H2,14,15)
InChIKeyCNSFWNIUWOUXGW-UHFFFAOYSA-N
XLogP1.32
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54996674
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide
CID 76928849
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
CID 82328609

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide (CID 54998200) is N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide is CC(C)N(CCCN1CCCC1)CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The InChIKey is CNSFWNIUWOUXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-12(2)17(11-6-13(14)15-18)10-5-9-16-7-3-4-8-16/h12,18H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide is sourced from PubChem (CID 54998200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).