N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline

C18H25N3 — CID 63060222

IUPACN-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
SMILESCC(C)CNCc1ccccc1N(C)Cc1ccccn1
InChIInChI=1S/C18H25N3/c1-15(2)12-19-13-16-8-4-5-10-18(16)21(3)14-17-9-6-7-11-20-17/h4-11,15,19H,12-14H2,1-3H3
InChIKeyVKKISYAXNJEOCB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.46
Rot. Bonds7

About N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline

N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline (PubChem CID 63060222) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
PubChem CID63060222
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
SMILESCC(C)CNCc1ccccc1N(C)Cc1ccccn1
InChIInChI=1S/C18H25N3/c1-15(2)12-19-13-16-8-4-5-10-18(16)21(3)14-17-9-6-7-11-20-17/h4-11,15,19H,12-14H2,1-3H3
InChIKeyVKKISYAXNJEOCB-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 66456614
N-methyl-5-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969218
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
CID 63059318
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
N,2-dimethyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 81249931
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283788

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline (CID 63060222) is N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline is CC(C)CNCc1ccccc1N(C)Cc1ccccn1.
What is the InChIKey of N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is VKKISYAXNJEOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15(2)12-19-13-16-8-4-5-10-18(16)21(3)14-17-9-6-7-11-20-17/h4-11,15,19H,12-14H2,1-3H3.
What are the key properties of N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline?
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 63060222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).