4-(4-ethylheptoxy)cyclohexane-1-carboximidamide

C16H32N2O — CID 89242726

IUPAC4-(4-ethylheptoxy)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(OCCCC(CC)CCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-6-13(4-2)7-5-12-19-15-10-8-14(9-11-15)16(17)18/h13-15H,3-12H2,1-2H3,(H3,17,18)
InChIKeyUAOVHTGGFKUYEU-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.10
Rot. Bonds9

About 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide

4-(4-ethylheptoxy)cyclohexane-1-carboximidamide (PubChem CID 89242726) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-(4-ethylheptoxy)cyclohexane-1-carboximidamide
PubChem CID89242726
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-(4-ethylheptoxy)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(OCCCC(CC)CCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-6-13(4-2)7-5-12-19-15-10-8-14(9-11-15)16(17)18/h13-15H,3-12H2,1-2H3,(H3,17,18)
InChIKeyUAOVHTGGFKUYEU-UHFFFAOYSA-N
XLogP4.10
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.10
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 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide?
The IUPAC name of 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide (CID 89242726) is 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide?
The canonical SMILES for 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide is [H]/N=C(\N)C1CCC(OCCCC(CC)CCC)CC1.
What is the InChIKey of 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide?
The InChIKey is UAOVHTGGFKUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-6-13(4-2)7-5-12-19-15-10-8-14(9-11-15)16(17)18/h13-15H,3-12H2,1-2H3,(H3,17,18).
What are the key properties of 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide?
4-(4-ethylheptoxy)cyclohexane-1-carboximidamide has a molecular weight of 268.44 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylheptoxy)cyclohexane-1-carboximidamide is sourced from PubChem (CID 89242726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).