1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine

C16H33N3 — CID 63169813

IUPAC1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCCCCCC2N)C1
InChIInChI=1S/C16H33N3/c1-3-18(4-2)14-11-12-19(13-14)16-10-8-6-5-7-9-15(16)17/h14-16H,3-13,17H2,1-2H3
InChIKeyCIYDJVHNWUTBGB-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine

1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 63169813) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID63169813
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCCCCCC2N)C1
InChIInChI=1S/C16H33N3/c1-3-18(4-2)14-11-12-19(13-14)16-10-8-6-5-7-9-15(16)17/h14-16H,3-13,17H2,1-2H3
InChIKeyCIYDJVHNWUTBGB-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1,N1-diethylhexadecane-1,2-diamine
CID 10403265
(2S,3S)-2-N,2-N-dimethyloctadecane-1,2,3-triamine
CID 146311953
(2S,3R)-2-N,2-N-dimethyloctadecane-1,2,3-triamine
CID 146311958
(2R,3R)-1,2-diethylpyrrolidin-3-amine
CID 57321397
N,N-di(2-aminopropyl)dodecylamine
CID 88100962
1-[2-(cyclooctylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 84589356
(3S)-4-fluoro-1-hexadecan-8-ylpyrrolidin-3-amine
CID 155392449
(3S,4S)-4-fluoro-1-pentadecan-8-ylpyrrolidin-3-amine
CID 156076638
(3S,4S)-4-fluoro-1-tetradecan-7-ylpyrrolidin-3-amine
CID 167064935
N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine
CID 11589009
N-dodecyl-N-[[(2S)-pyrrolidin-2-yl]methyl]dodecan-1-amine
CID 134973302
N~1~-Cyclooctyl-N~2~-undecylethane-1,2-diamine
CID 16076330

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine (CID 63169813) is 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C2CCCCCCC2N)C1.
What is the InChIKey of 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is CIYDJVHNWUTBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-18(4-2)14-11-12-19(13-14)16-10-8-6-5-7-9-15(16)17/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine?
1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63169813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).