N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine

C18H27N3 — CID 71060669

IUPACN-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine
SMILESC1=CN(N(N2C=CCC2)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H27N3/c1-2-6-19(5-1)21(20-7-3-4-8-20)18-12-15-9-16(13-18)11-17(10-15)14-18/h1,3,5,7,15-17H,2,4,6,8-14H2
InChIKeyRXYXNBFGUBLTRE-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.53
Rot. Bonds3

About N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine

N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine (PubChem CID 71060669) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine
PubChem CID71060669
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine
SMILESC1=CN(N(N2C=CCC2)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H27N3/c1-2-6-19(5-1)21(20-7-3-4-8-20)18-12-15-9-16(13-18)11-17(10-15)14-18/h1,3,5,7,15-17H,2,4,6,8-14H2
InChIKeyRXYXNBFGUBLTRE-UHFFFAOYSA-N
XLogP3.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine?
The IUPAC name of N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine (CID 71060669) is N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine.
What is the SMILES notation for N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine?
The canonical SMILES for N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine is C1=CN(N(N2C=CCC2)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine?
The InChIKey is RXYXNBFGUBLTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-6-19(5-1)21(20-7-3-4-8-20)18-12-15-9-16(13-18)11-17(10-15)14-18/h1,3,5,7,15-17H,2,4,6,8-14H2.
What are the key properties of N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine?
N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine has a molecular weight of 285.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-(2,3-dihydropyrrol-1-yl)-2,3-dihydropyrrol-1-amine is sourced from PubChem (CID 71060669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).