N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine

C28H45N3 — CID 59895630

IUPACN,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
SMILESCCN(CCN(CC)[C@H](C)Cc1ccccc1)CCN(CC)[C@H](C)Cc1ccccc1
InChIInChI=1S/C28H45N3/c1-6-29(19-21-30(7-2)25(4)23-27-15-11-9-12-16-27)20-22-31(8-3)26(5)24-28-17-13-10-14-18-28/h9-18,25-26H,6-8,19-24H2,1-5H3/t25-,26-/m1/s1
InChIKeyZOOUKEFHWQEPCN-CLJLJLNGSA-N
MW423.69 g/mol
LogP5.21
Rot. Bonds15

About N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine

N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine (PubChem CID 59895630) has the molecular formula C28H45N3 and a molecular weight of 423.69 g/mol. Its IUPAC name is N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
PubChem CID59895630
Molecular FormulaC28H45N3
Molecular Weight423.69 g/mol
Exact Mass423.36
IUPAC NameN,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
SMILESCCN(CCN(CC)[C@H](C)Cc1ccccc1)CCN(CC)[C@H](C)Cc1ccccc1
InChIInChI=1S/C28H45N3/c1-6-29(19-21-30(7-2)25(4)23-27-15-11-9-12-16-27)20-22-31(8-3)26(5)24-28-17-13-10-14-18-28/h9-18,25-26H,6-8,19-24H2,1-5H3/t25-,26-/m1/s1
InChIKeyZOOUKEFHWQEPCN-CLJLJLNGSA-N
XLogP5.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
3-[ethyl(1-phenylpropan-2-yl)amino]-2-methylpropanoic acid
CID 65060873
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine
CID 102992091
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
2-(diethylamino)-4-methyl-1-phenylpentan-3-one;ethane
CID 145053921
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
ethane;2-methylpropylbenzene
CID 162200929
2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol
CID 76605629
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N,N-diethyl-4-phenylbutan-2-amine
CID 567866

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine (CID 59895630) is N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine is CCN(CCN(CC)[C@H](C)Cc1ccccc1)CCN(CC)[C@H](C)Cc1ccccc1.
What is the InChIKey of N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine?
The InChIKey is ZOOUKEFHWQEPCN-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H45N3/c1-6-29(19-21-30(7-2)25(4)23-27-15-11-9-12-16-27)20-22-31(8-3)26(5)24-28-17-13-10-14-18-28/h9-18,25-26H,6-8,19-24H2,1-5H3/t25-,26-/m1/s1.
What are the key properties of N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine?
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine has a molecular weight of 423.69 g/mol, XLogP of 5.21, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 59895630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).