4-[2-[bis(prop-2-enyl)amino]propyl]aniline

C15H22N2 — CID 82255975

IUPAC4-[2-[bis(prop-2-enyl)amino]propyl]aniline
SMILESC=CCN(CC=C)C(C)Cc1ccc(N)cc1
InChIInChI=1S/C15H22N2/c1-4-10-17(11-5-2)13(3)12-14-6-8-15(16)9-7-14/h4-9,13H,1-2,10-12,16H2,3H3
InChIKeyBLUTTZPCOUVHED-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.87
Rot. Bonds7

About 4-[2-[bis(prop-2-enyl)amino]propyl]aniline

4-[2-[bis(prop-2-enyl)amino]propyl]aniline (PubChem CID 82255975) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[2-[bis(prop-2-enyl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[2-[bis(prop-2-enyl)amino]propyl]aniline
PubChem CID82255975
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-[2-[bis(prop-2-enyl)amino]propyl]aniline
SMILESC=CCN(CC=C)C(C)Cc1ccc(N)cc1
InChIInChI=1S/C15H22N2/c1-4-10-17(11-5-2)13(3)12-14-6-8-15(16)9-7-14/h4-9,13H,1-2,10-12,16H2,3H3
InChIKeyBLUTTZPCOUVHED-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
4-[4-[propan-2-yl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501778
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
4-[(Z)-2-methylpent-3-enyl]aniline
CID 83928464
4-[2-[prop-2-ynyl(trideuteriomethyl)amino]propyl]aniline
CID 71313195
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
2-(4-aminophenyl)-2-methyl-N-propan-2-yl-N-prop-2-enylpropanamide
CID 80556777
1-[bis(prop-2-enyl)amino]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
CID 90388689
4-(2,2-dimethoxyethyl)aniline
CID 18173527
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(prop-2-enyl)amino]propyl]aniline?
The IUPAC name of 4-[2-[bis(prop-2-enyl)amino]propyl]aniline (CID 82255975) is 4-[2-[bis(prop-2-enyl)amino]propyl]aniline.
What is the SMILES notation for 4-[2-[bis(prop-2-enyl)amino]propyl]aniline?
The canonical SMILES for 4-[2-[bis(prop-2-enyl)amino]propyl]aniline is C=CCN(CC=C)C(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[2-[bis(prop-2-enyl)amino]propyl]aniline?
The InChIKey is BLUTTZPCOUVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-10-17(11-5-2)13(3)12-14-6-8-15(16)9-7-14/h4-9,13H,1-2,10-12,16H2,3H3.
What are the key properties of 4-[2-[bis(prop-2-enyl)amino]propyl]aniline?
4-[2-[bis(prop-2-enyl)amino]propyl]aniline has a molecular weight of 230.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(prop-2-enyl)amino]propyl]aniline is sourced from PubChem (CID 82255975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).