N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide

C14H29N3O2 — CID 77064137

IUPACN'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNC1(CO)CCCCC1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)17-19)7-6-10-16-14(11-18)8-4-3-5-9-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyQAESNSDOFBEQOK-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.82
Rot. Bonds7

About N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide (PubChem CID 77064137) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide
PubChem CID77064137
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNC1(CO)CCCCC1)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-13(2,12(15)17-19)7-6-10-16-14(11-18)8-4-3-5-9-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17)
InChIKeyQAESNSDOFBEQOK-UHFFFAOYSA-N
XLogP1.82
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide (CID 77064137) is N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide is CC(C)(CCCNC1(CO)CCCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide?
The InChIKey is QAESNSDOFBEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13(2,12(15)17-19)7-6-10-16-14(11-18)8-4-3-5-9-14/h16,18-19H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).