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

C17H30N2 — CID 105138285

IUPACN,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
SMILESCCCNC(CC(C)CC)c1cccc(N(C)C)c1
InChIInChI=1S/C17H30N2/c1-6-11-18-17(12-14(3)7-2)15-9-8-10-16(13-15)19(4)5/h8-10,13-14,17-18H,6-7,11-12H2,1-5H3
InChIKeySKYHPMDKBOZIOA-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.23
Rot. Bonds8

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

N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline (PubChem CID 105138285) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
PubChem CID105138285
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
SMILESCCCNC(CC(C)CC)c1cccc(N(C)C)c1
InChIInChI=1S/C17H30N2/c1-6-11-18-17(12-14(3)7-2)15-9-8-10-16(13-15)19(4)5/h8-10,13-14,17-18H,6-7,11-12H2,1-5H3
InChIKeySKYHPMDKBOZIOA-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-[4-methyl-1-(propylamino)pentyl]aniline
CID 105126732
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline?
The IUPAC name of N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline (CID 105138285) is N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline is CCCNC(CC(C)CC)c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline?
The InChIKey is SKYHPMDKBOZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-11-18-17(12-14(3)7-2)15-9-8-10-16(13-15)19(4)5/h8-10,13-14,17-18H,6-7,11-12H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline?
N,N-dimethyl-3-[3-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-[3-methyl-1-(propylamino)pentyl]aniline is sourced from PubChem (CID 105138285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).