N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline

C14H20N2 — CID 105158304

IUPACN,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
SMILESC#CC(NCCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2/c1-5-11-15-14(6-2)12-7-9-13(10-8-12)16(3)4/h2,7-10,14-15H,5,11H2,1,3-4H3
InChIKeyLWZGHXLKUNIUNI-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.43
Rot. Bonds5

About N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline

N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline (PubChem CID 105158304) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
PubChem CID105158304
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
SMILESC#CC(NCCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2/c1-5-11-15-14(6-2)12-7-9-13(10-8-12)16(3)4/h2,7-10,14-15H,5,11H2,1,3-4H3
InChIKeyLWZGHXLKUNIUNI-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.43
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]ethylamino]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 4253042
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
4-[1-(hex-1-yn-3-ylamino)ethyl]-N,N-dimethylaniline
CID 114160896
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105151653
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine
CID 79522247
1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine
CID 104995757
4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline (CID 105158304) is N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline is C#CC(NCCC)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline?
The InChIKey is LWZGHXLKUNIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-11-15-14(6-2)12-7-9-13(10-8-12)16(3)4/h2,7-10,14-15H,5,11H2,1,3-4H3.
What are the key properties of N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline?
N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline has a molecular weight of 216.33 g/mol, XLogP of 2.43, 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-(propylamino)prop-2-ynyl]aniline is sourced from PubChem (CID 105158304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).