N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine

C17H30N2 — CID 62422184

IUPACN-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(CC)CC(C)C
InChIInChI=1S/C17H30N2/c1-5-12-18-13-17(16-10-8-7-9-11-16)19(6-2)14-15(3)4/h7-11,15,17-18H,5-6,12-14H2,1-4H3
InChIKeySPWRSRUTUWJCAU-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.71
Rot. Bonds9

About N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine

N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine (PubChem CID 62422184) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
PubChem CID62422184
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(CC)CC(C)C
InChIInChI=1S/C17H30N2/c1-5-12-18-13-17(16-10-8-7-9-11-16)19(6-2)14-15(3)4/h7-11,15,17-18H,5-6,12-14H2,1-4H3
InChIKeySPWRSRUTUWJCAU-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62427202
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
1-phenyl-N-propan-2-yl-N'-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426442
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
4-[[2-(diethylamino)-2-phenylethyl]amino]butanoic acid
CID 43377950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine (CID 62422184) is N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine is CCCNCC(c1ccccc1)N(CC)CC(C)C.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine?
The InChIKey is SPWRSRUTUWJCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-12-18-13-17(16-10-8-7-9-11-16)19(6-2)14-15(3)4/h7-11,15,17-18H,5-6,12-14H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine?
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62422184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).