N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline

C14H22N2 — CID 114449211

IUPACN,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
SMILESC=C(C)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2/c1-11(2)10-15-12(3)13-6-8-14(9-7-13)16(4)5/h6-9,12,15H,1,10H2,2-5H3
InChIKeyMLPXRUYXLOOEAF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.98
Rot. Bonds5

About N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline

N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline (PubChem CID 114449211) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
PubChem CID114449211
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
SMILESC=C(C)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2/c1-11(2)10-15-12(3)13-6-8-14(9-7-13)16(4)5/h6-9,12,15H,1,10H2,2-5H3
InChIKeyMLPXRUYXLOOEAF-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.98
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 43756855
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
ethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 54921228
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765
1-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767769
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline (CID 114449211) is N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline is C=C(C)CNC(C)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline?
The InChIKey is MLPXRUYXLOOEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)10-15-12(3)13-6-8-14(9-7-13)16(4)5/h6-9,12,15H,1,10H2,2-5H3.
What are the key properties of N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline?
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline is sourced from PubChem (CID 114449211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).