N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide

C14H29N3O — CID 77061811

IUPACN'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide
SMILESCC1CCC(CNCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-11-4-6-12(7-5-11)10-16-9-8-14(2,3)13(15)17-18/h11-12,16,18H,4-10H2,1-3H3,(H2,15,17)
InChIKeyDYDNGBBLTYTCJM-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.57
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide (PubChem CID 77061811) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide
PubChem CID77061811
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide
SMILESCC1CCC(CNCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-11-4-6-12(7-5-11)10-16-9-8-14(2,3)13(15)17-18/h11-12,16,18H,4-10H2,1-3H3,(H2,15,17)
InChIKeyDYDNGBBLTYTCJM-UHFFFAOYSA-N
XLogP2.57
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide (CID 77061811) is N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide is CC1CCC(CNCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide?
The InChIKey is DYDNGBBLTYTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-4-6-12(7-5-11)10-16-9-8-14(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-[(4-methylcyclohexyl)methylamino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(4-methylcyclohexyl)methylamino]butanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.57, 6 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-[(4-methylcyclohexyl)methylamino]butanimidamide is sourced from PubChem (CID 77061811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).