N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline

C17H30N2 — CID 105126732

IUPACN,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline
SMILESCCCNC(CCC(C)C)c1cccc(N(C)C)c1
InChIInChI=1S/C17H30N2/c1-6-12-18-17(11-10-14(2)3)15-8-7-9-16(13-15)19(4)5/h7-9,13-14,17-18H,6,10-12H2,1-5H3
InChIKeyRRTNXXSLCYGBAR-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.23
Rot. Bonds8

About N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline

N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline (PubChem CID 105126732) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline
PubChem CID105126732
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline
SMILESCCCNC(CCC(C)C)c1cccc(N(C)C)c1
InChIInChI=1S/C17H30N2/c1-6-12-18-17(11-10-14(2)3)15-8-7-9-16(13-15)19(4)5/h7-9,13-14,17-18H,6,10-12H2,1-5H3
InChIKeyRRTNXXSLCYGBAR-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[1-(propylamino)butyl]aniline
CID 105080148
N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
CID 105138285
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
3-(1-hydrazinylheptyl)-N,N-dimethylaniline
CID 105293942
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
1-(3-chlorophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-N-propylpropane-1,3-diamine
CID 115987624

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline?
The IUPAC name of N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline (CID 105126732) is N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline is CCCNC(CCC(C)C)c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline?
The InChIKey is RRTNXXSLCYGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-12-18-17(11-10-14(2)3)15-8-7-9-16(13-15)19(4)5/h7-9,13-14,17-18H,6,10-12H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline?
N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline has a molecular weight of 262.44 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-methyl-1-(propylamino)pentyl]aniline is sourced from PubChem (CID 105126732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).