1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine

C17H28N4 — CID 80637058

IUPAC1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(CNC2CC2)cnc1N1CCCC(N(C)C)C1
InChIInChI=1S/C17H28N4/c1-13-9-14(10-18-15-6-7-15)11-19-17(13)21-8-4-5-16(12-21)20(2)3/h9,11,15-16,18H,4-8,10,12H2,1-3H3
InChIKeyYYNVEHVYBRBTRI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.17
Rot. Bonds5

About 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine

1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 80637058) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
PubChem CID80637058
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(CNC2CC2)cnc1N1CCCC(N(C)C)C1
InChIInChI=1S/C17H28N4/c1-13-9-14(10-18-15-6-7-15)11-19-17(13)21-8-4-5-16(12-21)20(2)3/h9,11,15-16,18H,4-8,10,12H2,1-3H3
InChIKeyYYNVEHVYBRBTRI-UHFFFAOYSA-N
XLogP2.17
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine (CID 80637058) is 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine is Cc1cc(CNC2CC2)cnc1N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is YYNVEHVYBRBTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-9-14(10-18-15-6-7-15)11-19-17(13)21-8-4-5-16(12-21)20(2)3/h9,11,15-16,18H,4-8,10,12H2,1-3H3.
What are the key properties of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine?
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 288.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 80637058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).