1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine

C17H26N2 — CID 62439187

IUPAC1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C17H26N2/c1-5-12-19(13-6-2)17(14-18-15(3)4)16-10-8-7-9-11-16/h5-11,15,17-18H,1-2,12-14H2,3-4H3
InChIKeyGCOLKAMQFCHRBF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.40
Rot. Bonds9

About 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine

1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine (PubChem CID 62439187) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
PubChem CID62439187
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C17H26N2/c1-5-12-19(13-6-2)17(14-18-15(3)4)16-10-8-7-9-11-16/h5-11,15,17-18H,1-2,12-14H2,3-4H3
InChIKeyGCOLKAMQFCHRBF-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 107906481
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987
N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
CID 103340348
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62430681
[(4S)-4-[bis(prop-2-enyl)amino]-4-phenylbutan-2-yl] methanesulfonate
CID 135016688
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 11185890
N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 113482426

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine (CID 62439187) is 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine is C=CCN(CC=C)C(CNC(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine?
The InChIKey is GCOLKAMQFCHRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-12-19(13-6-2)17(14-18-15(3)4)16-10-8-7-9-11-16/h5-11,15,17-18H,1-2,12-14H2,3-4H3.
What are the key properties of 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine?
1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 62439187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).