N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide

C14H29N3O — CID 114130997

IUPACN'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
SMILESCC1CCCC(CNCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H29N3O/c1-11-5-4-6-12(9-11)10-16-8-7-14(2,3)13(15)17-18/h11-12,16,18H,4-10H2,1-3H3,(H2,15,17)
InChIKeyBHBODPQBAVDQSG-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.57
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide (PubChem CID 114130997) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
PubChem CID114130997
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
SMILESCC1CCCC(CNCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H29N3O/c1-11-5-4-6-12(9-11)10-16-8-7-14(2,3)13(15)17-18/h11-12,16,18H,4-10H2,1-3H3,(H2,15,17)
InChIKeyBHBODPQBAVDQSG-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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Related Compounds

4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclopentyl)amino]butanimidamide
CID 104937631
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide (CID 114130997) is N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide is CC1CCCC(CNCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide?
The InChIKey is BHBODPQBAVDQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-5-4-6-12(9-11)10-16-8-7-14(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-[(3-methylcyclohexyl)methylamino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(3-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-[(3-methylcyclohexyl)methylamino]butanimidamide is sourced from PubChem (CID 114130997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).