4-(1-propylpyrrolidin-3-yl)butan-2-amine

C11H24N2 — CID 83981036

IUPAC4-(1-propylpyrrolidin-3-yl)butan-2-amine
SMILESCCCN1CCC(CCC(C)N)C1
InChIInChI=1S/C11H24N2/c1-3-7-13-8-6-11(9-13)5-4-10(2)12/h10-11H,3-9,12H2,1-2H3
InChIKeyPAOOEGVHOGPFLD-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds5

About 4-(1-propylpyrrolidin-3-yl)butan-2-amine

4-(1-propylpyrrolidin-3-yl)butan-2-amine (PubChem CID 83981036) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 4-(1-propylpyrrolidin-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1-propylpyrrolidin-3-yl)butan-2-amine
PubChem CID83981036
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name4-(1-propylpyrrolidin-3-yl)butan-2-amine
SMILESCCCN1CCC(CCC(C)N)C1
InChIInChI=1S/C11H24N2/c1-3-7-13-8-6-11(9-13)5-4-10(2)12/h10-11H,3-9,12H2,1-2H3
InChIKeyPAOOEGVHOGPFLD-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
2-methyl-3-(1-propylpyrrolidin-3-yl)propan-1-ol
CID 83981032
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
4-(3-ethylazetidin-1-yl)butan-2-amine
CID 79677546
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpyrrolidin-3-yl)butan-2-amine?
The IUPAC name of 4-(1-propylpyrrolidin-3-yl)butan-2-amine (CID 83981036) is 4-(1-propylpyrrolidin-3-yl)butan-2-amine.
What is the SMILES notation for 4-(1-propylpyrrolidin-3-yl)butan-2-amine?
The canonical SMILES for 4-(1-propylpyrrolidin-3-yl)butan-2-amine is CCCN1CCC(CCC(C)N)C1.
What is the InChIKey of 4-(1-propylpyrrolidin-3-yl)butan-2-amine?
The InChIKey is PAOOEGVHOGPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-7-13-8-6-11(9-13)5-4-10(2)12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-(1-propylpyrrolidin-3-yl)butan-2-amine?
4-(1-propylpyrrolidin-3-yl)butan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrrolidin-3-yl)butan-2-amine is sourced from PubChem (CID 83981036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).