(3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine

C20H40N2 — CID 126716410

IUPAC(3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine
SMILESCC(C)CCN1CC[C@@H](CCC(C)N2CC[C@H](C(C)C)C2)C1
InChIInChI=1S/C20H40N2/c1-16(2)8-11-21-12-9-19(14-21)7-6-18(5)22-13-10-20(15-22)17(3)4/h16-20H,6-15H2,1-5H3/t18?,19-,20+/m1/s1
InChIKeyZMBDSYMRKUKDNW-HUSUDBNBSA-N
MW308.55 g/mol
LogP4.50
Rot. Bonds8

About (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine

(3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine (PubChem CID 126716410) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine
PubChem CID126716410
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name(3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine
SMILESCC(C)CCN1CC[C@@H](CCC(C)N2CC[C@H](C(C)C)C2)C1
InChIInChI=1S/C20H40N2/c1-16(2)8-11-21-12-9-19(14-21)7-6-18(5)22-13-10-20(15-22)17(3)4/h16-20H,6-15H2,1-5H3/t18?,19-,20+/m1/s1
InChIKeyZMBDSYMRKUKDNW-HUSUDBNBSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
4-(1-propylpyrrolidin-3-yl)butan-2-amine
CID 83981036
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
1-(3-methylbutyl)-3-propan-2-ylpiperidine;(4S)-4-methyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine
CID 159799194
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
CID 176985881
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine?
The IUPAC name of (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine (CID 126716410) is (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine.
What is the SMILES notation for (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine?
The canonical SMILES for (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine is CC(C)CCN1CC[C@@H](CCC(C)N2CC[C@H](C(C)C)C2)C1.
What is the InChIKey of (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine?
The InChIKey is ZMBDSYMRKUKDNW-HUSUDBNBSA-N. The full InChI is InChI=1S/C20H40N2/c1-16(2)8-11-21-12-9-19(14-21)7-6-18(5)22-13-10-20(15-22)17(3)4/h16-20H,6-15H2,1-5H3/t18?,19-,20+/m1/s1.
What are the key properties of (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine?
(3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine has a molecular weight of 308.55 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methylbutyl)-3-[3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butyl]pyrrolidine is sourced from PubChem (CID 126716410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).