N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide

C14H29N3O — CID 77073748

IUPACN'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
SMILESCC1CCCCCC1NCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H29N3O/c1-11-7-5-4-6-8-12(11)16-10-9-14(2,3)13(15)17-18/h11-12,16,18H,4-10H2,1-3H3,(H2,15,17)
InChIKeySDNWRWFSSZNROC-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.71
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide (PubChem CID 77073748) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
PubChem CID77073748
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
SMILESCC1CCCCCC1NCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H29N3O/c1-11-7-5-4-6-8-12(11)16-10-9-14(2,3)13(15)17-18/h11-12,16,18H,4-10H2,1-3H3,(H2,15,17)
InChIKeySDNWRWFSSZNROC-UHFFFAOYSA-N
XLogP2.71
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.71
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

5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
5-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063323
6-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711286
N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073768
4-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062762
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
CID 79361747
5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104931144
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
CID 104937631
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062138

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide (CID 77073748) is N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide is CC1CCCCCC1NCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide?
The InChIKey is SDNWRWFSSZNROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-7-5-4-6-8-12(11)16-10-9-14(2,3)13(15)17-18/h11-12,16,18H,4-10H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide is sourced from PubChem (CID 77073748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).