2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide

C11H22N4O — CID 77027010

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
SMILESCC(NCC1CCN(C2CC2)C1)C(N)=NO
InChIInChI=1S/C11H22N4O/c1-8(11(12)14-16)13-6-9-4-5-15(7-9)10-2-3-10/h8-10,13,16H,2-7H2,1H3,(H2,12,14)
InChIKeyXZTQZUDBRPNDNQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.20
Rot. Bonds5

About 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide (PubChem CID 77027010) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
PubChem CID77027010
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
SMILESCC(NCC1CCN(C2CC2)C1)C(N)=NO
InChIInChI=1S/C11H22N4O/c1-8(11(12)14-16)13-6-9-4-5-15(7-9)10-2-3-10/h8-10,13,16H,2-7H2,1H3,(H2,12,14)
InChIKeyXZTQZUDBRPNDNQ-UHFFFAOYSA-N
XLogP0.20
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
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

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
CID 77026503
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
CID 77026751
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 60975768
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
CID 55083195
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 60975769
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
CID 62310143
2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
CID 104876523

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide (CID 77027010) is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide is CC(NCC1CCN(C2CC2)C1)C(N)=NO.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide?
The InChIKey is XZTQZUDBRPNDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(11(12)14-16)13-6-9-4-5-15(7-9)10-2-3-10/h8-10,13,16H,2-7H2,1H3,(H2,12,14).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide?
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide has a molecular weight of 226.32 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 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77027010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).