N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline

C17H30N2 — CID 112678050

IUPACN-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline
SMILESCCC(NC)c1ccccc1N(C)C(C)CC(C)C
InChIInChI=1S/C17H30N2/c1-7-16(18-5)15-10-8-9-11-17(15)19(6)14(4)12-13(2)3/h8-11,13-14,16,18H,7,12H2,1-6H3
InChIKeyRVVMTSPAHDLHLQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.23
Rot. Bonds7

About N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline

N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline (PubChem CID 112678050) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline
PubChem CID112678050
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline
SMILESCCC(NC)c1ccccc1N(C)C(C)CC(C)C
InChIInChI=1S/C17H30N2/c1-7-16(18-5)15-10-8-9-11-17(15)19(6)14(4)12-13(2)3/h8-11,13-14,16,18H,7,12H2,1-6H3
InChIKeyRVVMTSPAHDLHLQ-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
CID 112677774
N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline
CID 112677880
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 115995093
N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)propyl]aniline
CID 112678176
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034
5-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 82968358
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[1-(methylamino)propyl]aniline
CID 115995013
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline (CID 112678050) is N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline is CCC(NC)c1ccccc1N(C)C(C)CC(C)C.
What is the InChIKey of N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline?
The InChIKey is RVVMTSPAHDLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-16(18-5)15-10-8-9-11-17(15)19(6)14(4)12-13(2)3/h8-11,13-14,16,18H,7,12H2,1-6H3.
What are the key properties of N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline?
N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline has a molecular weight of 262.44 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 112678050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).