3-(4-methylpentoxy)pentanimidamide

C11H24N2O — CID 43175352

IUPAC3-(4-methylpentoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)OCCCC(C)C
InChIInChI=1S/C11H24N2O/c1-4-10(8-11(12)13)14-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeySKSWOSYTVNOYCQ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.54
Rot. Bonds8

About 3-(4-methylpentoxy)pentanimidamide

3-(4-methylpentoxy)pentanimidamide (PubChem CID 43175352) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(4-methylpentoxy)pentanimidamide.

Molecular Properties

Compound Name3-(4-methylpentoxy)pentanimidamide
PubChem CID43175352
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-(4-methylpentoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)OCCCC(C)C
InChIInChI=1S/C11H24N2O/c1-4-10(8-11(12)13)14-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeySKSWOSYTVNOYCQ-UHFFFAOYSA-N
XLogP2.54
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentoxy)pentanimidamide?
The IUPAC name of 3-(4-methylpentoxy)pentanimidamide (CID 43175352) is 3-(4-methylpentoxy)pentanimidamide.
What is the SMILES notation for 3-(4-methylpentoxy)pentanimidamide?
The canonical SMILES for 3-(4-methylpentoxy)pentanimidamide is [H]/N=C(\N)CC(CC)OCCCC(C)C.
What is the InChIKey of 3-(4-methylpentoxy)pentanimidamide?
The InChIKey is SKSWOSYTVNOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-10(8-11(12)13)14-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 3-(4-methylpentoxy)pentanimidamide?
3-(4-methylpentoxy)pentanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxy)pentanimidamide is sourced from PubChem (CID 43175352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).