6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide

C13H29N3O — CID 106712213

IUPAC6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC)CCCO
InChIInChI=1S/C13H29N3O/c1-4-16(10-7-11-17)9-6-5-8-13(2,3)12(14)15/h17H,4-11H2,1-3H3,(H3,14,15)
InChIKeyQVXWEMAXRQNFGB-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.82
Rot. Bonds10

About 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide

6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 106712213) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
PubChem CID106712213
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC)CCCO
InChIInChI=1S/C13H29N3O/c1-4-16(10-7-11-17)9-6-5-8-13(2,3)12(14)15/h17H,4-11H2,1-3H3,(H3,14,15)
InChIKeyQVXWEMAXRQNFGB-UHFFFAOYSA-N
XLogP1.82
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
CID 102993810
5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
CID 65258077
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
2,2-dimethyloctanimidamide
CID 58158153
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
CID 65252068
4-[ethyl(3-hydroxypropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104861776
2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
CID 106712046
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
5-[cyclopentyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258525

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide (CID 106712213) is 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(CC)CCCO.
What is the InChIKey of 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is QVXWEMAXRQNFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-16(10-7-11-17)9-6-5-8-13(2,3)12(14)15/h17H,4-11H2,1-3H3,(H3,14,15).
What are the key properties of 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide?
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 243.39 g/mol, XLogP of 1.82, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).