1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine

C18H36N4 — CID 122628391

IUPAC1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine
SMILESNC(CN1CCCC1)C(CCN1CCCC1)CN1CCCC1
InChIInChI=1S/C18H36N4/c19-18(16-22-12-5-6-13-22)17(15-21-10-3-4-11-21)7-14-20-8-1-2-9-20/h17-18H,1-16,19H2
InChIKeyUJPGZABIZLBDIH-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.61
Rot. Bonds8

About 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine

1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine (PubChem CID 122628391) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine
PubChem CID122628391
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine
SMILESNC(CN1CCCC1)C(CCN1CCCC1)CN1CCCC1
InChIInChI=1S/C18H36N4/c19-18(16-22-12-5-6-13-22)17(15-21-10-3-4-11-21)7-14-20-8-1-2-9-20/h17-18H,1-16,19H2
InChIKeyUJPGZABIZLBDIH-UHFFFAOYSA-N
XLogP1.61
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine?
The IUPAC name of 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine (CID 122628391) is 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine.
What is the SMILES notation for 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine?
The canonical SMILES for 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine is NC(CN1CCCC1)C(CCN1CCCC1)CN1CCCC1.
What is the InChIKey of 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine?
The InChIKey is UJPGZABIZLBDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c19-18(16-22-12-5-6-13-22)17(15-21-10-3-4-11-21)7-14-20-8-1-2-9-20/h17-18H,1-16,19H2.
What are the key properties of 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine?
1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine has a molecular weight of 308.51 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipyrrolidin-1-yl-3-(pyrrolidin-1-ylmethyl)pentan-2-amine is sourced from PubChem (CID 122628391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).