4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine

C19H34N2O — CID 144859107

IUPAC4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine
SMILESC=C(NCCC)OC(C)(C)C.CC[C@@H](C)c1ccc(N)cc1
InChIInChI=1S/C10H15N.C9H19NO/c1-3-8(2)9-4-6-10(11)7-5-9;1-6-7-10-8(2)11-9(3,4)5/h4-8H,3,11H2,1-2H3;10H,2,6-7H2,1,3-5H3/t8-;/m1./s1
InChIKeyQJEFWGVQFAKVLK-DDWIOCJRSA-N
MW306.49 g/mol
LogP5.05
Rot. Bonds6

About 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine

4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine (PubChem CID 144859107) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine
PubChem CID144859107
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine
SMILESC=C(NCCC)OC(C)(C)C.CC[C@@H](C)c1ccc(N)cc1
InChIInChI=1S/C10H15N.C9H19NO/c1-3-8(2)9-4-6-10(11)7-5-9;1-6-7-10-8(2)11-9(3,4)5/h4-8H,3,11H2,1-2H3;10H,2,6-7H2,1,3-5H3/t8-;/m1./s1
InChIKeyQJEFWGVQFAKVLK-DDWIOCJRSA-N
XLogP5.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine?
The IUPAC name of 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine (CID 144859107) is 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine.
What is the SMILES notation for 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine?
The canonical SMILES for 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine is C=C(NCCC)OC(C)(C)C.CC[C@@H](C)c1ccc(N)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine?
The InChIKey is QJEFWGVQFAKVLK-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15N.C9H19NO/c1-3-8(2)9-4-6-10(11)7-5-9;1-6-7-10-8(2)11-9(3,4)5/h4-8H,3,11H2,1-2H3;10H,2,6-7H2,1,3-5H3/t8-;/m1./s1.
What are the key properties of 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine?
4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine has a molecular weight of 306.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]aniline;N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propan-1-amine is sourced from PubChem (CID 144859107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).