N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine

C17H28N2 — CID 105346685

IUPACN-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CCNCC)cc1
InChIInChI=1S/C17H28N2/c1-5-18-12-11-16-7-9-17(10-8-16)14-19(6-2)13-15(3)4/h7-10,18H,3,5-6,11-14H2,1-2,4H3
InChIKeyZBOFDGGRABYADA-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.24
Rot. Bonds9

About N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine (PubChem CID 105346685) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
PubChem CID105346685
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CCNCC)cc1
InChIInChI=1S/C17H28N2/c1-5-18-12-11-16-7-9-17(10-8-16)14-19(6-2)13-15(3)4/h7-10,18H,3,5-6,11-14H2,1-2,4H3
InChIKeyZBOFDGGRABYADA-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 105346683
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 3817840
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
CID 107453965
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine
CID 105348088
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62417837
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
CID 107555698
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine (CID 105346685) is N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1ccc(CCNCC)cc1.
What is the InChIKey of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine?
The InChIKey is ZBOFDGGRABYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-18-12-11-16-7-9-17(10-8-16)14-19(6-2)13-15(3)4/h7-10,18H,3,5-6,11-14H2,1-2,4H3.
What are the key properties of N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105346685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).