3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide

C13H27N3O — CID 81391679

IUPAC3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN[C@@H](C)C1CCCCCC1)C(N)=NO
InChIInChI=1S/C13H27N3O/c1-10(13(14)16-17)9-15-11(2)12-7-5-3-4-6-8-12/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)/t10?,11-/m0/s1
InChIKeyNKWHHVXSXCTHIY-DTIOYNMSSA-N
MW241.38 g/mol
LogP2.32
Rot. Bonds5

About 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 81391679) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID81391679
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN[C@@H](C)C1CCCCCC1)C(N)=NO
InChIInChI=1S/C13H27N3O/c1-10(13(14)16-17)9-15-11(2)12-7-5-3-4-6-8-12/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)/t10?,11-/m0/s1
InChIKeyNKWHHVXSXCTHIY-DTIOYNMSSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
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-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370058
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370054
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693
2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
CID 77029717
2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 103257937
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
CID 81392075
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
N-(1-cyclohexylethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904275
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 81391679) is 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN[C@@H](C)C1CCCCCC1)C(N)=NO.
What is the InChIKey of 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is NKWHHVXSXCTHIY-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(13(14)16-17)9-15-11(2)12-7-5-3-4-6-8-12/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)/t10?,11-/m0/s1.
What are the key properties of 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 81391679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).