5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

C14H30N4O — CID 104931144

IUPAC5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC1CN(C)CCC1NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H30N4O/c1-11-10-18(4)9-6-12(11)16-8-5-7-14(2,3)13(15)17-19/h11-12,16,19H,5-10H2,1-4H3,(H2,15,17)
InChIKeyUJRTYSXQSIBGEH-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.47
Rot. Bonds6

About 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 104931144) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID104931144
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC1CN(C)CCC1NCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H30N4O/c1-11-10-18(4)9-6-12(11)16-8-5-7-14(2,3)13(15)17-19/h11-12,16,19H,5-10H2,1-4H3,(H2,15,17)
InChIKeyUJRTYSXQSIBGEH-UHFFFAOYSA-N
XLogP1.47
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
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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Related Compounds

5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711016
N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073748
5-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063323
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
CID 114503544
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711286
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 104931144) is 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is CC1CN(C)CCC1NCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is UJRTYSXQSIBGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11-10-18(4)9-6-12(11)16-8-5-7-14(2,3)13(15)17-19/h11-12,16,19H,5-10H2,1-4H3,(H2,15,17).
What are the key properties of 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 270.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 104931144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).