(3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one

C18H34N2O — CID 97086384

IUPAC(3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESC[C@H](CC(=O)N1CC[C@H](CN(C)CC2CC2)C1)C(C)(C)C
InChIInChI=1S/C18H34N2O/c1-14(18(2,3)4)10-17(21)20-9-8-16(13-20)12-19(5)11-15-6-7-15/h14-16H,6-13H2,1-5H3/t14-,16-/m1/s1
InChIKeyZLYYBERASHVLAJ-GDBMZVCRSA-N
MW294.48 g/mol
LogP3.25
Rot. Bonds6

About (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one

(3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one (PubChem CID 97086384) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name(3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one
PubChem CID97086384
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESC[C@H](CC(=O)N1CC[C@H](CN(C)CC2CC2)C1)C(C)(C)C
InChIInChI=1S/C18H34N2O/c1-14(18(2,3)4)10-17(21)20-9-8-16(13-20)12-19(5)11-15-6-7-15/h14-16H,6-13H2,1-5H3/t14-,16-/m1/s1
InChIKeyZLYYBERASHVLAJ-GDBMZVCRSA-N
XLogP3.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one with MolForge

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Related Compounds

1-[3-(chloromethyl)pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 63833340
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
1-(3-bromo-4-methylpiperidin-1-yl)-3,4,4-trimethylpentan-1-one
CID 102962283
3-amino-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895941
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119621897
1-(3-hydroxyazetidin-1-yl)-3,4,4-trimethylpentan-1-one
CID 63832597
1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119896709
3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119896732
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 114801661
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 165439664

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one?
The IUPAC name of (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one (CID 97086384) is (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one?
The canonical SMILES for (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one is C[C@H](CC(=O)N1CC[C@H](CN(C)CC2CC2)C1)C(C)(C)C.
What is the InChIKey of (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one?
The InChIKey is ZLYYBERASHVLAJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(18(2,3)4)10-17(21)20-9-8-16(13-20)12-19(5)11-15-6-7-15/h14-16H,6-13H2,1-5H3/t14-,16-/m1/s1.
What are the key properties of (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one?
(3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 97086384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).