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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Related Compounds

(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
1-Cyclohexylpyrrolidin-3-amine
CID 3670074
N-Ethyl-N-[(2R)-2-pyrrolidinylmethyl]ethanamine
CID 7141624
(1-Cyclohexylpyrrolidin-2-yl)methanamine
CID 12861927
Methyl(2-(1-methylpyrrolidin-2-yl)ethyl)amine
CID 20063893
N'-Cyclohexyl-N,N-dimethyl-ethane-1,2-diamine
CID 6486625
N~2~-Cyclohexyl-N~1~,N~1~-diethylethane-1,2-diamine
CID 295962
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
CID 43373540
N',N'-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 11851189
cis-N-methyl-2-(1-pyrrolidinyl)cyclohexylamine
CID 13377466
2-(Pyrrolidin-1-yl)cyclohexan-1-amine
CID 14350176

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).