N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline

C17H30N2 — CID 112677858

IUPACN-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)C(C)CC
InChIInChI=1S/C17H30N2/c1-6-13-18-16(8-3)15-11-9-10-12-17(15)19(5)14(4)7-2/h9-12,14,16,18H,6-8,13H2,1-5H3
InChIKeyZDRBEJXJRDJQSI-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.37
Rot. Bonds8

About N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline

N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline (PubChem CID 112677858) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
PubChem CID112677858
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)C(C)CC
InChIInChI=1S/C17H30N2/c1-6-13-18-16(8-3)15-11-9-10-12-17(15)19(5)14(4)7-2/h9-12,14,16,18H,6-8,13H2,1-5H3
InChIKeyZDRBEJXJRDJQSI-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
CID 115995349
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994862
N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline
CID 112678050
1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
CID 115995337
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
1-[2-(3-methylbutylsulfanyl)phenyl]-N-propylpropan-1-amine
CID 107750878

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline?
The IUPAC name of N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline (CID 112677858) is N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline?
The canonical SMILES for N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline is CCCNC(CC)c1ccccc1N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline?
The InChIKey is ZDRBEJXJRDJQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-13-18-16(8-3)15-11-9-10-12-17(15)19(5)14(4)7-2/h9-12,14,16,18H,6-8,13H2,1-5H3.
What are the key properties of N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline?
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline has a molecular weight of 262.44 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline is sourced from PubChem (CID 112677858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).