3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide

C14H29N3O — CID 64747716

IUPAC3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)C1CCC(CC)CC1
InChIInChI=1S/C14H29N3O/c1-3-12-4-6-13(7-5-12)17(10-11-18-2)9-8-14(15)16/h12-13H,3-11H2,1-2H3,(H3,15,16)
InChIKeyRNWQVWHJHUYWOK-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.23
Rot. Bonds8

About 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide

3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide (PubChem CID 64747716) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide
PubChem CID64747716
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)C1CCC(CC)CC1
InChIInChI=1S/C14H29N3O/c1-3-12-4-6-13(7-5-12)17(10-11-18-2)9-8-14(15)16/h12-13H,3-11H2,1-2H3,(H3,15,16)
InChIKeyRNWQVWHJHUYWOK-UHFFFAOYSA-N
XLogP2.23
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide (CID 64747716) is 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)C1CCC(CC)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is RNWQVWHJHUYWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-12-4-6-13(7-5-12)17(10-11-18-2)9-8-14(15)16/h12-13H,3-11H2,1-2H3,(H3,15,16).
What are the key properties of 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 64747716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).