N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine

C20H30N2 — CID 123673223

IUPACN-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine
SMILESCC=Cc1cc(CNC23CC4CC(CC(C4)C2)C3)[nH]c1CC
InChIInChI=1S/C20H30N2/c1-3-5-17-9-18(22-19(17)4-2)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h3,5,9,14-16,21-22H,4,6-8,10-13H2,1-2H3
InChIKeyDNARUYDKHDTBSD-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.67
Rot. Bonds5

About N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine

N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine (PubChem CID 123673223) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine
PubChem CID123673223
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine
SMILESCC=Cc1cc(CNC23CC4CC(CC(C4)C2)C3)[nH]c1CC
InChIInChI=1S/C20H30N2/c1-3-5-17-9-18(22-19(17)4-2)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h3,5,9,14-16,21-22H,4,6-8,10-13H2,1-2H3
InChIKeyDNARUYDKHDTBSD-UHFFFAOYSA-N
XLogP4.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine (CID 123673223) is N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine is CC=Cc1cc(CNC23CC4CC(CC(C4)C2)C3)[nH]c1CC.
What is the InChIKey of N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine?
The InChIKey is DNARUYDKHDTBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-5-17-9-18(22-19(17)4-2)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h3,5,9,14-16,21-22H,4,6-8,10-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine?
N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-4-prop-1-enyl-1H-pyrrol-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 123673223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).