N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine

C18H32N2 — CID 60957357

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine
SMILESCC(CNC1C2CC3CC(C2)CC1C3)CN1CCCC1
InChIInChI=1S/C18H32N2/c1-13(12-20-4-2-3-5-20)11-19-18-16-7-14-6-15(9-16)10-17(18)8-14/h13-19H,2-12H2,1H3
InChIKeyGTFWIIXOHFTNDX-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.13
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine (PubChem CID 60957357) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine
PubChem CID60957357
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine
SMILESCC(CNC1C2CC3CC(C2)CC1C3)CN1CCCC1
InChIInChI=1S/C18H32N2/c1-13(12-20-4-2-3-5-20)11-19-18-16-7-14-6-15(9-16)10-17(18)8-14/h13-19H,2-12H2,1H3
InChIKeyGTFWIIXOHFTNDX-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine (CID 60957357) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine is CC(CNC1C2CC3CC(C2)CC1C3)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine?
The InChIKey is GTFWIIXOHFTNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(12-20-4-2-3-5-20)11-19-18-16-7-14-6-15(9-16)10-17(18)8-14/h13-19H,2-12H2,1H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)adamantan-2-amine is sourced from PubChem (CID 60957357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).