1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine

C16H33N3 — CID 63167533

IUPAC1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNC2CCCCC2)C1
InChIInChI=1S/C16H33N3/c1-3-19(4-2)16-10-12-18(14-16)13-11-17-15-8-6-5-7-9-15/h15-17H,3-14H2,1-2H3
InChIKeyROXXLCOPOBXVRP-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds7

About 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine

1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63167533) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63167533
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNC2CCCCC2)C1
InChIInChI=1S/C16H33N3/c1-3-19(4-2)16-10-12-18(14-16)13-11-17-15-8-6-5-7-9-15/h15-17H,3-14H2,1-2H3
InChIKeyROXXLCOPOBXVRP-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine (CID 63167533) is 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CCNC2CCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is ROXXLCOPOBXVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-19(4-2)16-10-12-18(14-16)13-11-17-15-8-6-5-7-9-15/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63167533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).