3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine

C16H33N3 — CID 117237666

IUPAC3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
SMILESCC(C)N1CCC(C(CN)CN2CCCCCC2)C1
InChIInChI=1S/C16H33N3/c1-14(2)19-10-7-15(13-19)16(11-17)12-18-8-5-3-4-6-9-18/h14-16H,3-13,17H2,1-2H3
InChIKeyLXBUPZBYBMSIOT-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds5

About 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine

3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine (PubChem CID 117237666) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
PubChem CID117237666
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
SMILESCC(C)N1CCC(C(CN)CN2CCCCCC2)C1
InChIInChI=1S/C16H33N3/c1-14(2)19-10-7-15(13-19)16(11-17)12-18-8-5-3-4-6-9-18/h14-16H,3-13,17H2,1-2H3
InChIKeyLXBUPZBYBMSIOT-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
CID 117239088
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
2-cyclobutyl-3-piperidin-1-ylpropan-1-amine
CID 117245614
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 117238624
N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237573
N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237587
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 117237209
2-(1-ethylpyrrolidin-3-yl)-3-piperidin-1-ylpropan-1-ol
CID 117237653
2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 117239139

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine (CID 117237666) is 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine is CC(C)N1CCC(C(CN)CN2CCCCCC2)C1.
What is the InChIKey of 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is LXBUPZBYBMSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)19-10-7-15(13-19)16(11-17)12-18-8-5-3-4-6-9-18/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine?
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 117237666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).