5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide

C15H32N4O — CID 77031819

IUPAC5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide
SMILESCC1CCCC(CNCCCCC(N)=NO)(N(C)C)C1
InChIInChI=1S/C15H32N4O/c1-13-7-6-9-15(11-13,19(2)3)12-17-10-5-4-8-14(16)18-20/h13,17,20H,4-12H2,1-3H3,(H2,16,18)
InChIKeyDDNDJJMRVBYHPG-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.00
Rot. Bonds8

About 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide

5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide (PubChem CID 77031819) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide
PubChem CID77031819
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide
SMILESCC1CCCC(CNCCCCC(N)=NO)(N(C)C)C1
InChIInChI=1S/C15H32N4O/c1-13-7-6-9-15(11-13,19(2)3)12-17-10-5-4-8-14(16)18-20/h13,17,20H,4-12H2,1-3H3,(H2,16,18)
InChIKeyDDNDJJMRVBYHPG-UHFFFAOYSA-N
XLogP2.00
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide (CID 77031819) is 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide is CC1CCCC(CNCCCCC(N)=NO)(N(C)C)C1.
What is the InChIKey of 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide?
The InChIKey is DDNDJJMRVBYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-13-7-6-9-15(11-13,19(2)3)12-17-10-5-4-8-14(16)18-20/h13,17,20H,4-12H2,1-3H3,(H2,16,18).
What are the key properties of 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide?
5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide has a molecular weight of 284.45 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77031819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).