N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide

C17H29N3O — CID 106019347

IUPACN'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
SMILESCCCCC(CCC)NC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-3-5-12-15(9-4-2)19-16(13-17(18)20-21)14-10-7-6-8-11-14/h6-8,10-11,15-16,19,21H,3-5,9,12-13H2,1-2H3,(H2,18,20)
InChIKeyRVRZOWSELPCIRK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.81
Rot. Bonds10

About N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide

N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide (PubChem CID 106019347) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
PubChem CID106019347
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
SMILESCCCCC(CCC)NC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-3-5-12-15(9-4-2)19-16(13-17(18)20-21)14-10-7-6-8-11-14/h6-8,10-11,15-16,19,21H,3-5,9,12-13H2,1-2H3,(H2,18,20)
InChIKeyRVRZOWSELPCIRK-UHFFFAOYSA-N
XLogP3.81
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.81
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

3,5-diethyl-N-hydroxy-2,6-diphenylpiperidin-4-imine
CID 2729796
3,5-Dimethyl-2,6-diphenyl-piperidin-4-one oxime
CID 2854422
3-Methyl-2,6-diphenyl-4-piperidinone oxime
CID 5333927
(NE)-N-(2,6-diphenyl-3-propylpiperidin-4-ylidene)hydroxylamine
CID 5333964
(NE)-N-(2,6-diphenyl-3-propan-2-ylpiperidin-4-ylidene)hydroxylamine
CID 5339658
CID 6603563
CID 6603563
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 4266997
N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 4637442
N-[3,5-dimethyl-2,6-bis(4-methylphenyl)piperidin-4-ylidene]hydroxylamine
CID 6618777
N-(1-phenylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrobromide
CID 9551994
2-(alpha-Methyl-p-tridecylbenzylimino)hexahydroazepine hydrochloride
CID 13012133
N-benzhydryl-2,3,4,5-tetrahydropyridin-6-amine
CID 21163118

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide (CID 106019347) is N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide is CCCCC(CCC)NC(C/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide?
The InChIKey is RVRZOWSELPCIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-5-12-15(9-4-2)19-16(13-17(18)20-21)14-10-7-6-8-11-14/h6-8,10-11,15-16,19,21H,3-5,9,12-13H2,1-2H3,(H2,18,20).
What are the key properties of N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide?
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide has a molecular weight of 291.44 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide is sourced from PubChem (CID 106019347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).