4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C14H27N3O — CID 77061941

IUPAC4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CC1CC1)CC1CC1)C(N)=NO
InChIInChI=1S/C14H27N3O/c1-14(2,13(15)16-18)7-8-17(9-11-3-4-11)10-12-5-6-12/h11-12,18H,3-10H2,1-2H3,(H2,15,16)
InChIKeyFWISGDCBGBWSAC-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.27
Rot. Bonds8

About 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77061941) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77061941
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CC1CC1)CC1CC1)C(N)=NO
InChIInChI=1S/C14H27N3O/c1-14(2,13(15)16-18)7-8-17(9-11-3-4-11)10-12-5-6-12/h11-12,18H,3-10H2,1-2H3,(H2,15,16)
InChIKeyFWISGDCBGBWSAC-UHFFFAOYSA-N
XLogP2.27
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77061941) is 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCN(CC1CC1)CC1CC1)C(N)=NO.
What is the InChIKey of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is FWISGDCBGBWSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,13(15)16-18)7-8-17(9-11-3-4-11)10-12-5-6-12/h11-12,18H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 253.39 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).