2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline

C16H26N2 — CID 43571414

IUPAC2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccccc1CNC1CC1
InChIInChI=1S/C16H26N2/c1-4-15(5-2)18(3)16-9-7-6-8-13(16)12-17-14-10-11-14/h6-9,14-15,17H,4-5,10-12H2,1-3H3
InChIKeyHSUYXXSEHLUKEY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.56
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline

2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline (PubChem CID 43571414) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
PubChem CID43571414
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccccc1CNC1CC1
InChIInChI=1S/C16H26N2/c1-4-15(5-2)18(3)16-9-7-6-8-13(16)12-17-14-10-11-14/h6-9,14-15,17H,4-5,10-12H2,1-3H3
InChIKeyHSUYXXSEHLUKEY-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 105072999
3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112665329
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
2-[2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375210
2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
CID 54994770
2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105416055
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 55059386
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
N-[[2-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62418765
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131729
N-(1-cyclopropylethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 43569387
N-cyclopropyl-N',2-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62436306

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline (CID 43571414) is 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline is CCC(CC)N(C)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
The InChIKey is HSUYXXSEHLUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15(5-2)18(3)16-9-7-6-8-13(16)12-17-14-10-11-14/h6-9,14-15,17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline?
2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 43571414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).