N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline

C16H28N2 — CID 43284157

IUPACN-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
SMILESCCCCN(CC)c1ccc(C(C)NCC)cc1
InChIInChI=1S/C16H28N2/c1-5-8-13-18(7-3)16-11-9-15(10-12-16)14(4)17-6-2/h9-12,14,17H,5-8,13H2,1-4H3
InChIKeyZIDFDNALTXDYON-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.98
Rot. Bonds8

About N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline

N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline (PubChem CID 43284157) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
PubChem CID43284157
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
SMILESCCCCN(CC)c1ccc(C(C)NCC)cc1
InChIInChI=1S/C16H28N2/c1-5-8-13-18(7-3)16-11-9-15(10-12-16)14(4)17-6-2/h9-12,14,17H,5-8,13H2,1-4H3
InChIKeyZIDFDNALTXDYON-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751
2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 61446426
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695069
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
N'-ethyl-N'-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 54806369
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
CID 62333161
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
CID 43295026
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The IUPAC name of N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline (CID 43284157) is N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline is CCCCN(CC)c1ccc(C(C)NCC)cc1.
What is the InChIKey of N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The InChIKey is ZIDFDNALTXDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-8-13-18(7-3)16-11-9-15(10-12-16)14(4)17-6-2/h9-12,14,17H,5-8,13H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline has a molecular weight of 248.41 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 43284157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).