N,N-dipropyl-3-[1-(propylamino)ethyl]aniline

C17H30N2 — CID 79678790

IUPACN,N-dipropyl-3-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cccc(N(CCC)CCC)c1
InChIInChI=1S/C17H30N2/c1-5-11-18-15(4)16-9-8-10-17(14-16)19(12-6-2)13-7-3/h8-10,14-15,18H,5-7,11-13H2,1-4H3
InChIKeyDGQBBMWRXRVPHW-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.37
Rot. Bonds9

About N,N-dipropyl-3-[1-(propylamino)ethyl]aniline

N,N-dipropyl-3-[1-(propylamino)ethyl]aniline (PubChem CID 79678790) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N-dipropyl-3-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-dipropyl-3-[1-(propylamino)ethyl]aniline
PubChem CID79678790
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N-dipropyl-3-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cccc(N(CCC)CCC)c1
InChIInChI=1S/C17H30N2/c1-5-11-18-15(4)16-9-8-10-17(14-16)19(12-6-2)13-7-3/h8-10,14-15,18H,5-7,11-13H2,1-4H3
InChIKeyDGQBBMWRXRVPHW-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64664023
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
CID 138691667
CID 138691667
N'-ethyl-N'-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 54806369
N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63424482
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-[1-(propylamino)ethyl]aniline?
The IUPAC name of N,N-dipropyl-3-[1-(propylamino)ethyl]aniline (CID 79678790) is N,N-dipropyl-3-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for N,N-dipropyl-3-[1-(propylamino)ethyl]aniline?
The canonical SMILES for N,N-dipropyl-3-[1-(propylamino)ethyl]aniline is CCCNC(C)c1cccc(N(CCC)CCC)c1.
What is the InChIKey of N,N-dipropyl-3-[1-(propylamino)ethyl]aniline?
The InChIKey is DGQBBMWRXRVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-11-18-15(4)16-9-8-10-17(14-16)19(12-6-2)13-7-3/h8-10,14-15,18H,5-7,11-13H2,1-4H3.
What are the key properties of N,N-dipropyl-3-[1-(propylamino)ethyl]aniline?
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline has a molecular weight of 262.44 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 79678790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).