(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane

C14H21N3 — CID 137454780

IUPAC(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane
SMILESC[C@H]1N2CC3CN(C2)CC1(c1cccn1C)C3
InChIInChI=1S/C14H21N3/c1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12/h3-5,11-12H,6-10H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyDAOCBQROOKMWIR-LKSINWNRSA-N
MW231.34 g/mol
LogP1.26
Rot. Bonds1

About (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane

(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane (PubChem CID 137454780) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane
PubChem CID137454780
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane
SMILESC[C@H]1N2CC3CN(C2)CC1(c1cccn1C)C3
InChIInChI=1S/C14H21N3/c1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12/h3-5,11-12H,6-10H2,1-2H3/t11-,12?,14?/m1/s1
InChIKeyDAOCBQROOKMWIR-LKSINWNRSA-N
XLogP1.26
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The IUPAC name of (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane (CID 137454780) is (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane is C[C@H]1N2CC3CN(C2)CC1(c1cccn1C)C3.
What is the InChIKey of (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The InChIKey is DAOCBQROOKMWIR-LKSINWNRSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-14(13-4-3-5-15(13)2)6-12-7-16(9-14)10-17(11)8-12/h3-5,11-12H,6-10H2,1-2H3/t11-,12?,14?/m1/s1.
What are the key properties of (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane?
(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane has a molecular weight of 231.34 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 137454780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).