N,N-diethylpropan-1-amine;ethylbenzene

C15H27N — CID 142078527

IUPACN,N-diethylpropan-1-amine;ethylbenzene
SMILESCCCN(CC)CC.CCc1ccccc1
InChIInChI=1S/C8H10.C7H17N/c1-2-8-6-4-3-5-7-8;1-4-7-8(5-2)6-3/h3-7H,2H2,1H3;4-7H2,1-3H3
InChIKeyIGUCPFGNZIECNF-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.99
Rot. Bonds5

About N,N-diethylpropan-1-amine;ethylbenzene

N,N-diethylpropan-1-amine;ethylbenzene (PubChem CID 142078527) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N,N-diethylpropan-1-amine;ethylbenzene.

Molecular Properties

Compound NameN,N-diethylpropan-1-amine;ethylbenzene
PubChem CID142078527
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN,N-diethylpropan-1-amine;ethylbenzene
SMILESCCCN(CC)CC.CCc1ccccc1
InChIInChI=1S/C8H10.C7H17N/c1-2-8-6-4-3-5-7-8;1-4-7-8(5-2)6-3/h3-7H,2H2,1H3;4-7H2,1-3H3
InChIKeyIGUCPFGNZIECNF-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;ethylbenzene
CID 90887003
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
N,N-dibenzylpropan-1-amine
CID 10840212
ethane;ethylbenzene;methanol
CID 90833594
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
ethane;ethylbenzene;methoxymethane
CID 91307642
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
ethylbenzene;propane;hydroiodide
CID 142182216

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropan-1-amine;ethylbenzene?
The IUPAC name of N,N-diethylpropan-1-amine;ethylbenzene (CID 142078527) is N,N-diethylpropan-1-amine;ethylbenzene.
What is the SMILES notation for N,N-diethylpropan-1-amine;ethylbenzene?
The canonical SMILES for N,N-diethylpropan-1-amine;ethylbenzene is CCCN(CC)CC.CCc1ccccc1.
What is the InChIKey of N,N-diethylpropan-1-amine;ethylbenzene?
The InChIKey is IGUCPFGNZIECNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H17N/c1-2-8-6-4-3-5-7-8;1-4-7-8(5-2)6-3/h3-7H,2H2,1H3;4-7H2,1-3H3.
What are the key properties of N,N-diethylpropan-1-amine;ethylbenzene?
N,N-diethylpropan-1-amine;ethylbenzene has a molecular weight of 221.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropan-1-amine;ethylbenzene is sourced from PubChem (CID 142078527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).