(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine

C12H27N3 — CID 166707583

IUPAC(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine
SMILESCCC(C)N1C[C@@H](NC)[C@H](NC(C)C)C1
InChIInChI=1S/C12H27N3/c1-6-10(4)15-7-11(13-5)12(8-15)14-9(2)3/h9-14H,6-8H2,1-5H3/t10?,11-,12-/m1/s1
InChIKeyYBLDYKTVAMZHDI-PQDIPPBSSA-N
MW213.37 g/mol
LogP1.06
Rot. Bonds5

About (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine

(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine (PubChem CID 166707583) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine
PubChem CID166707583
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine
SMILESCCC(C)N1C[C@@H](NC)[C@H](NC(C)C)C1
InChIInChI=1S/C12H27N3/c1-6-10(4)15-7-11(13-5)12(8-15)14-9(2)3/h9-14H,6-8H2,1-5H3/t10?,11-,12-/m1/s1
InChIKeyYBLDYKTVAMZHDI-PQDIPPBSSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine with MolForge

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Related Compounds

1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine
CID 170006232
1-butan-2-yl-3-chloro-5-methylpiperidine
CID 130802847
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
N-[(1-butan-2-ylazetidin-3-yl)methyl]-3-fluoropropan-1-amine
CID 134267174
(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 167501461
(3R,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 177078816
2-(4-butan-2-ylpiperazin-1-yl)-N-ethylcycloheptan-1-amine
CID 62774800
1-(1-butan-2-ylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183854
1-butan-2-yl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997264

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine?
The IUPAC name of (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine (CID 166707583) is (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine.
What is the SMILES notation for (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine?
The canonical SMILES for (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine is CCC(C)N1C[C@@H](NC)[C@H](NC(C)C)C1.
What is the InChIKey of (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine?
The InChIKey is YBLDYKTVAMZHDI-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-10(4)15-7-11(13-5)12(8-15)14-9(2)3/h9-14H,6-8H2,1-5H3/t10?,11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine?
(3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-butan-2-yl-4-N-methyl-3-N-propan-2-ylpyrrolidine-3,4-diamine is sourced from PubChem (CID 166707583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).