N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine

C16H32N2 — CID 81005595

IUPACN-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCC1(CC)CCN(C2CCC2CNC(C)C)C1
InChIInChI=1S/C16H32N2/c1-5-16(6-2)9-10-18(12-16)15-8-7-14(15)11-17-13(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyATAPJKWWUXSBDI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81005595) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID81005595
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCCC1(CC)CCN(C2CCC2CNC(C)C)C1
InChIInChI=1S/C16H32N2/c1-5-16(6-2)9-10-18(12-16)15-8-7-14(15)11-17-13(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyATAPJKWWUXSBDI-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine (CID 81005595) is N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine is CCC1(CC)CCN(C2CCC2CNC(C)C)C1.
What is the InChIKey of N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is ATAPJKWWUXSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-16(6-2)9-10-18(12-16)15-8-7-14(15)11-17-13(3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-diethylpyrrolidin-1-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81005595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).