N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine

C16H30N6 — CID 50952205

IUPACN,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2nnc(CC3CCNCC3)n2C)C1
InChIInChI=1S/C16H30N6/c1-20(2)14-6-9-22(11-14)12-16-19-18-15(21(16)3)10-13-4-7-17-8-5-13/h13-14,17H,4-12H2,1-3H3
InChIKeyRJBHGWZFNJSZTG-UHFFFAOYSA-N
MW306.46 g/mol
LogP0.49
Rot. Bonds5

About N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine (PubChem CID 50952205) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
PubChem CID50952205
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC NameN,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2nnc(CC3CCNCC3)n2C)C1
InChIInChI=1S/C16H30N6/c1-20(2)14-6-9-22(11-14)12-16-19-18-15(21(16)3)10-13-4-7-17-8-5-13/h13-14,17H,4-12H2,1-3H3
InChIKeyRJBHGWZFNJSZTG-UHFFFAOYSA-N
XLogP0.49
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine (CID 50952205) is N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine is CN(C)C1CCN(Cc2nnc(CC3CCNCC3)n2C)C1.
What is the InChIKey of N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
The InChIKey is RJBHGWZFNJSZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-20(2)14-6-9-22(11-14)12-16-19-18-15(21(16)3)10-13-4-7-17-8-5-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine has a molecular weight of 306.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 50952205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).