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

C19H32N2 — CID 105346683

IUPACN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-7-21(14-16(2)3)15-18-10-8-17(9-11-18)12-13-20-19(4,5)6/h8-11,20H,2,7,12-15H2,1,3-6H3
InChIKeyKAYWFIJORUFCMB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds8

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

N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 105346683) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID105346683
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-7-21(14-16(2)3)15-18-10-8-17(9-11-18)12-13-20-19(4,5)6/h8-11,20H,2,7,12-15H2,1,3-6H3
InChIKeyKAYWFIJORUFCMB-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
CID 105346685
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 105346845
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62417837
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347778
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 3817840
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine
CID 105346870
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 105347790
2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine
CID 105351341
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62419196
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 105346683) is N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1ccc(CCNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is KAYWFIJORUFCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-21(14-16(2)3)15-18-10-8-17(9-11-18)12-13-20-19(4,5)6/h8-11,20H,2,7,12-15H2,1,3-6H3.
What are the key properties of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105346683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).