2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane

C14H24N2 — CID 143482626

IUPAC2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane
SMILESC/C(N)=C/c1cc(C(C)C)ccc1N.CC
InChIInChI=1S/C12H18N2.C2H6/c1-8(2)10-4-5-12(14)11(7-10)6-9(3)13;1-2/h4-8H,13-14H2,1-3H3;1-2H3/b9-6-;
InChIKeyNSZSXQWWWRWCSX-BORNJIKYSA-N
MW220.36 g/mol
LogP3.74
Rot. Bonds2

About 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane

2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane (PubChem CID 143482626) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane.

Molecular Properties

Compound Name2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane
PubChem CID143482626
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane
SMILESC/C(N)=C/c1cc(C(C)C)ccc1N.CC
InChIInChI=1S/C12H18N2.C2H6/c1-8(2)10-4-5-12(14)11(7-10)6-9(3)13;1-2/h4-8H,13-14H2,1-3H3;1-2H3/b9-6-;
InChIKeyNSZSXQWWWRWCSX-BORNJIKYSA-N
XLogP3.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane?
The IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane (CID 143482626) is 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane.
What is the SMILES notation for 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane?
The canonical SMILES for 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane is C/C(N)=C/c1cc(C(C)C)ccc1N.CC.
What is the InChIKey of 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane?
The InChIKey is NSZSXQWWWRWCSX-BORNJIKYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-8(2)10-4-5-12(14)11(7-10)6-9(3)13;1-2/h4-8H,13-14H2,1-3H3;1-2H3/b9-6-;.
What are the key properties of 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane?
2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane has a molecular weight of 220.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-aminoprop-1-enyl]-4-propan-2-ylaniline;ethane is sourced from PubChem (CID 143482626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).