3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide

C14H29N3O — CID 54948414

IUPAC3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide
SMILESCCC1CCC(N(C)C(CC)CC(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-4-11-6-8-13(9-7-11)17(3)12(5-2)10-14(15)16-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16)
InChIKeyZEUZZDPYCSGWNT-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.80
Rot. Bonds6

About 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide

3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide (PubChem CID 54948414) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide
PubChem CID54948414
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide
SMILESCCC1CCC(N(C)C(CC)CC(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-4-11-6-8-13(9-7-11)17(3)12(5-2)10-14(15)16-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16)
InChIKeyZEUZZDPYCSGWNT-UHFFFAOYSA-N
XLogP2.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide (CID 54948414) is 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide is CCC1CCC(N(C)C(CC)CC(N)=NO)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide?
The InChIKey is ZEUZZDPYCSGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-11-6-8-13(9-7-11)17(3)12(5-2)10-14(15)16-18/h11-13,18H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide?
3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54948414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).