2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline

C15H23N — CID 130282228

IUPAC2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H23N/c1-6-10-16-15-13(11(2)3)8-7-9-14(15)12(4)5/h6-12,16H,1-5H3/b10-6-
InChIKeyIKWBUKZJVONKNE-POHAHGRESA-N
MW217.36 g/mol
LogP4.88
Rot. Bonds4

About 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline

2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline (PubChem CID 130282228) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
PubChem CID130282228
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C15H23N/c1-6-10-16-15-13(11(2)3)8-7-9-14(15)12(4)5/h6-12,16H,1-5H3/b10-6-
InChIKeyIKWBUKZJVONKNE-POHAHGRESA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 86234862
N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide
CID 122212569
N-pent-3-enyl-2,6-di(propan-2-yl)aniline
CID 175052075
(E)-3-[2,6-di(propan-2-yl)anilino]-1-(2-phenylphenyl)prop-2-en-1-one
CID 177459724
N-[bromo-[2,6-di(propan-2-yl)anilino]boranyl]-2,6-di(propan-2-yl)aniline
CID 139128549
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[[2,6-di(propan-2-yl)anilino]-di(propan-2-yl)silyl]-2,6-di(propan-2-yl)aniline
CID 139132579
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
N,N'-bis(2-methyl-6-propan-2-ylphenyl)methanimidamide
CID 20660934
[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
CID 87626126
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline?
The IUPAC name of 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline (CID 130282228) is 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline.
What is the SMILES notation for 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline?
The canonical SMILES for 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline is C/C=C\Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline?
The InChIKey is IKWBUKZJVONKNE-POHAHGRESA-N. The full InChI is InChI=1S/C15H23N/c1-6-10-16-15-13(11(2)3)8-7-9-14(15)12(4)5/h6-12,16H,1-5H3/b10-6-.
What are the key properties of 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline?
2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline has a molecular weight of 217.36 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline is sourced from PubChem (CID 130282228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).