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

C13H20N2 — CID 43755380

IUPACN,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
SMILESC=CCNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2/c1-5-10-14-11(2)12-6-8-13(9-7-12)15(3)4/h5-9,11,14H,1,10H2,2-4H3
InChIKeyKSCHEKYNHPLYFZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.59
Rot. Bonds5

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

N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline (PubChem CID 43755380) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
PubChem CID43755380
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
SMILESC=CCNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2/c1-5-10-14-11(2)12-6-8-13(9-7-12)15(3)4/h5-9,11,14H,1,10H2,2-4H3
InChIKeyKSCHEKYNHPLYFZ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.59
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

4-[1-(prop-2-enylamino)ethyl]phenol
CID 43189554
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
1-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767769
3-[1-[4-(dimethylamino)phenyl]ethylamino]propanenitrile
CID 43771530
methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 43756855
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
N,N-dimethyl-4-[1-(thian-4-ylmethylamino)ethyl]aniline
CID 115719880

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline (CID 43755380) is N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline is C=CCNC(C)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline?
The InChIKey is KSCHEKYNHPLYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-10-14-11(2)12-6-8-13(9-7-12)15(3)4/h5-9,11,14H,1,10H2,2-4H3.
What are the key properties of N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline?
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.59, 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-(prop-2-enylamino)ethyl]aniline is sourced from PubChem (CID 43755380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).