N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide

C10H22N4O — CID 77030857

IUPACN'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide
SMILESCC(CN1CCCC1)NC(C)C(N)=NO
InChIInChI=1S/C10H22N4O/c1-8(7-14-5-3-4-6-14)12-9(2)10(11)13-15/h8-9,12,15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyFATZWFLBXBWCAP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.20
Rot. Bonds5

About N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide

N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide (PubChem CID 77030857) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide
PubChem CID77030857
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide
SMILESCC(CN1CCCC1)NC(C)C(N)=NO
InChIInChI=1S/C10H22N4O/c1-8(7-14-5-3-4-6-14)12-9(2)10(11)13-15/h8-9,12,15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyFATZWFLBXBWCAP-UHFFFAOYSA-N
XLogP0.20
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
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

N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
N'-hydroxy-2-(4-hydroxybutan-2-ylamino)propanimidamide
CID 83176383
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
CID 66337589
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473966
3-amino-3-hydroxyimino-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 76921093
N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 77031683
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
(2S)-N-phosphanyl-1-pyrrolidin-1-ylpropan-2-amine
CID 143859597
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
CID 61499941
N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide
CID 79152481

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide (CID 77030857) is N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide is CC(CN1CCCC1)NC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide?
The InChIKey is FATZWFLBXBWCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(7-14-5-3-4-6-14)12-9(2)10(11)13-15/h8-9,12,15H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide?
N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide has a molecular weight of 214.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide is sourced from PubChem (CID 77030857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).