3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide

C14H29N3O — CID 64740958

IUPAC3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N3O/c1-11-4-5-13(10-12(11)2)17(8-9-18-3)7-6-14(15)16/h11-13H,4-10H2,1-3H3,(H3,15,16)
InChIKeyDSDLUYMZTJKLAR-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.09
Rot. Bonds7

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

3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide (PubChem CID 64740958) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide
PubChem CID64740958
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)C1CCC(C)C(C)C1
InChIInChI=1S/C14H29N3O/c1-11-4-5-13(10-12(11)2)17(8-9-18-3)7-6-14(15)16/h11-13H,4-10H2,1-3H3,(H3,15,16)
InChIKeyDSDLUYMZTJKLAR-UHFFFAOYSA-N
XLogP2.09
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.09
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-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide (CID 64740958) is 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)C1CCC(C)C(C)C1.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is DSDLUYMZTJKLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11-4-5-13(10-12(11)2)17(8-9-18-3)7-6-14(15)16/h11-13H,4-10H2,1-3H3,(H3,15,16).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide?
3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 64740958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).