1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine

C17H26N2 — CID 62439186

IUPAC1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
SMILESC=CCN(CC=C)C(CNCCC)c1ccccc1
InChIInChI=1S/C17H26N2/c1-4-12-18-15-17(16-10-8-7-9-11-16)19(13-5-2)14-6-3/h5-11,17-18H,2-4,12-15H2,1H3
InChIKeyFSFXFORHGZVRLJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.40
Rot. Bonds10

About 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine

1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine (PubChem CID 62439186) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
PubChem CID62439186
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
SMILESC=CCN(CC=C)C(CNCCC)c1ccccc1
InChIInChI=1S/C17H26N2/c1-4-12-18-15-17(16-10-8-7-9-11-16)19(13-5-2)14-6-3/h5-11,17-18H,2-4,12-15H2,1H3
InChIKeyFSFXFORHGZVRLJ-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439187
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
CID 103340348
1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62427202
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
CID 105348147
1-phenyl-N-propan-2-yl-N'-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426442
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine?
The IUPAC name of 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine (CID 62439186) is 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine is C=CCN(CC=C)C(CNCCC)c1ccccc1.
What is the InChIKey of 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine?
The InChIKey is FSFXFORHGZVRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-12-18-15-17(16-10-8-7-9-11-16)19(13-5-2)14-6-3/h5-11,17-18H,2-4,12-15H2,1H3.
What are the key properties of 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine?
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62439186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).