5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide

C14H31N3O2 — CID 65257983

IUPAC5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCOC)C(C)COC
InChIInChI=1S/C14H31N3O2/c1-12(11-19-5)17(9-10-18-4)8-6-7-14(2,3)13(15)16/h12H,6-11H2,1-5H3,(H3,15,16)
InChIKeyIACGFSRROBBLFA-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.71
Rot. Bonds11

About 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide

5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65257983) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide
PubChem CID65257983
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CCOC)C(C)COC
InChIInChI=1S/C14H31N3O2/c1-12(11-19-5)17(9-10-18-4)8-6-7-14(2,3)13(15)16/h12H,6-11H2,1-5H3,(H3,15,16)
InChIKeyIACGFSRROBBLFA-UHFFFAOYSA-N
XLogP1.71
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide (CID 65257983) is 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CCOC)C(C)COC.
What is the InChIKey of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is IACGFSRROBBLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-12(11-19-5)17(9-10-18-4)8-6-7-14(2,3)13(15)16/h12H,6-11H2,1-5H3,(H3,15,16).
What are the key properties of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide?
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 273.42 g/mol, XLogP of 1.71, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65257983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).