2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

C17H26N2O — CID 84756911

IUPAC2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCCCN(CCC)C(C#N)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-5-10-19(11-6-2)17(13-18)15-8-7-9-16(12-15)20-14(3)4/h7-9,12,14,17H,5-6,10-11H2,1-4H3
InChIKeyRUGHUAGKWXTXRY-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.16
Rot. Bonds8

About 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (PubChem CID 84756911) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
PubChem CID84756911
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCCCN(CCC)C(C#N)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-5-10-19(11-6-2)17(13-18)15-8-7-9-16(12-15)20-14(3)4/h7-9,12,14,17H,5-6,10-11H2,1-4H3
InChIKeyRUGHUAGKWXTXRY-UHFFFAOYSA-N
XLogP4.16
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762
2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
CID 84756866
2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile
CID 84756973
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 84817250
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
2-[[cyano-(3-propoxyphenyl)methyl]-methylamino]acetic acid
CID 84757531
2-[[cyano-(3-ethoxyphenyl)methyl]-methylamino]acetic acid
CID 84757529
2-[butyl(methyl)amino]-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84748524
3-[[cyano-(4-ethoxyphenyl)methyl]-propylamino]propanoic acid
CID 84757987
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (CID 84756911) is 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is CCCN(CCC)C(C#N)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is RUGHUAGKWXTXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-10-19(11-6-2)17(13-18)15-8-7-9-16(12-15)20-14(3)4/h7-9,12,14,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 274.41 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 84756911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).