3-(dibutylamino)-2-phenylpropanimidamide

C17H29N3 — CID 64537683

IUPAC3-(dibutylamino)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(CCCC)CCCC)c1ccccc1
InChIInChI=1S/C17H29N3/c1-3-5-12-20(13-6-4-2)14-16(17(18)19)15-10-8-7-9-11-15/h7-11,16H,3-6,12-14H2,1-2H3,(H3,18,19)
InChIKeyXCTNQNHUMQGGEA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.61
Rot. Bonds10

About 3-(dibutylamino)-2-phenylpropanimidamide

3-(dibutylamino)-2-phenylpropanimidamide (PubChem CID 64537683) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(dibutylamino)-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(dibutylamino)-2-phenylpropanimidamide
PubChem CID64537683
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-(dibutylamino)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(CCCC)CCCC)c1ccccc1
InChIInChI=1S/C17H29N3/c1-3-5-12-20(13-6-4-2)14-16(17(18)19)15-10-8-7-9-11-15/h7-11,16H,3-6,12-14H2,1-2H3,(H3,18,19)
InChIKeyXCTNQNHUMQGGEA-UHFFFAOYSA-N
XLogP3.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.61
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-[methyl(pentyl)amino]-2-phenylpropanimidamide
CID 64536672
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 64538702
3-[3-hydroxybutyl(methyl)amino]-2-phenylpropanimidamide
CID 113499633
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanimidamide
CID 64537694
3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 64536474
2-(4-methoxyphenyl)-5-phenylnonanimidamide
CID 173345917
3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanimidamide
CID 107770788
3-tert-butylsulfanyl-2-phenylpropanimidamide
CID 64536103
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-phenylpropanimidamide
CID 64538106
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-phenylpropanimidamide
CID 64537074
3-(2-methylfuran-3-yl)sulfanyl-2-phenylpropanimidamide
CID 107780467
3-(3-methoxypropylsulfanyl)-2-phenylpropanimidamide
CID 64536706

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-2-phenylpropanimidamide?
The IUPAC name of 3-(dibutylamino)-2-phenylpropanimidamide (CID 64537683) is 3-(dibutylamino)-2-phenylpropanimidamide.
What is the SMILES notation for 3-(dibutylamino)-2-phenylpropanimidamide?
The canonical SMILES for 3-(dibutylamino)-2-phenylpropanimidamide is [H]/N=C(\N)C(CN(CCCC)CCCC)c1ccccc1.
What is the InChIKey of 3-(dibutylamino)-2-phenylpropanimidamide?
The InChIKey is XCTNQNHUMQGGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-12-20(13-6-4-2)14-16(17(18)19)15-10-8-7-9-11-15/h7-11,16H,3-6,12-14H2,1-2H3,(H3,18,19).
What are the key properties of 3-(dibutylamino)-2-phenylpropanimidamide?
3-(dibutylamino)-2-phenylpropanimidamide has a molecular weight of 275.44 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-2-phenylpropanimidamide is sourced from PubChem (CID 64537683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).