3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide

C12H27N3 — CID 61437175

IUPAC3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CC(CC)CC
InChIInChI=1S/C12H27N3/c1-5-11(6-2)9-15(7-3)8-10(4)12(13)14/h10-11H,5-9H2,1-4H3,(H3,13,14)
InChIKeyKOUGWEFIGANVRA-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.32
Rot. Bonds8

About 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide

3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide (PubChem CID 61437175) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide
PubChem CID61437175
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CC(CC)CC
InChIInChI=1S/C12H27N3/c1-5-11(6-2)9-15(7-3)8-10(4)12(13)14/h10-11H,5-9H2,1-4H3,(H3,13,14)
InChIKeyKOUGWEFIGANVRA-UHFFFAOYSA-N
XLogP2.32
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
CID 106453223
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
CID 79160800
(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 103934531
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
CID 61441894
3-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-2-methylpropanimidamide
CID 54988565
3-[(2-bromo-4-fluorophenyl)methyl-ethylamino]-2-methylpropanimidamide
CID 54988566
3-[ethyl(quinolin-4-ylmethyl)amino]-2-methylpropanimidamide
CID 79234991
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide
CID 83064371
3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide
CID 63152175
2-[3-(diethylamino)propyl-ethylamino]propanimidamide
CID 102993857
3-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-2-methylpropanimidamide
CID 114047266

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide (CID 61437175) is 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CC(CC)CC.
What is the InChIKey of 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide?
The InChIKey is KOUGWEFIGANVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-11(6-2)9-15(7-3)8-10(4)12(13)14/h10-11H,5-9H2,1-4H3,(H3,13,14).
What are the key properties of 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide?
3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide has a molecular weight of 213.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 61437175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).