5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine

C16H27N3 — CID 80630395

IUPAC5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(CNC2CC2)cc1C
InChIInChI=1S/C16H27N3/c1-4-5-6-9-19(3)16-13(2)10-14(12-18-16)11-17-15-7-8-15/h10,12,15,17H,4-9,11H2,1-3H3
InChIKeyXFMGGUOQLANZEA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.27
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine

5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine (PubChem CID 80630395) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
PubChem CID80630395
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
SMILESCCCCCN(C)c1ncc(CNC2CC2)cc1C
InChIInChI=1S/C16H27N3/c1-4-5-6-9-19(3)16-13(2)10-14(12-18-16)11-17-15-7-8-15/h10,12,15,17H,4-9,11H2,1-3H3
InChIKeyXFMGGUOQLANZEA-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,3-dimethylpyridin-2-amine
CID 81057209
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine
CID 80632919
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
5-(chloromethyl)-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80628542
1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 80636888
3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80636310
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631518
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80636298
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 80637021
5-(2-aminopropyl)-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80633736
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine (CID 80630395) is 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine is CCCCCN(C)c1ncc(CNC2CC2)cc1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine?
The InChIKey is XFMGGUOQLANZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-5-6-9-19(3)16-13(2)10-14(12-18-16)11-17-15-7-8-15/h10,12,15,17H,4-9,11H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine?
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine is sourced from PubChem (CID 80630395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).