(3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine

C23H46N2O2 — CID 146303111

IUPAC(3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@H]1CCN(C(C)CCC(C)OC(C)(C)C2CN(C(C)C)C2)C1
InChIInChI=1S/C23H46N2O2/c1-17(2)25-14-22(15-25)23(7,8)27-20(6)10-9-19(5)24-12-11-21(13-24)16-26-18(3)4/h17-22H,9-16H2,1-8H3/t19?,20?,21-/m0/s1
InChIKeyDQNTWOSXQAVJJZ-CBNMVNINSA-N
MW382.63 g/mol
LogP4.43
Rot. Bonds11

About (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine

(3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 146303111) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine
PubChem CID146303111
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC Name(3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@H]1CCN(C(C)CCC(C)OC(C)(C)C2CN(C(C)C)C2)C1
InChIInChI=1S/C23H46N2O2/c1-17(2)25-14-22(15-25)23(7,8)27-20(6)10-9-19(5)24-12-11-21(13-24)16-26-18(3)4/h17-22H,9-16H2,1-8H3/t19?,20?,21-/m0/s1
InChIKeyDQNTWOSXQAVJJZ-CBNMVNINSA-N
XLogP4.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(propan-2-yloxymethyl)pyrrolidin-1-amine
CID 166902881
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792
1-[2-[1-(5-propan-2-yloxyhexan-2-yl)piperidin-4-yl]propan-2-yl]piperazine
CID 146439783
3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
CID 165149979
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
N-methyl-1-(1-pentan-2-ylpyrrolidin-3-yl)methanamine
CID 62511893
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine
CID 89385855
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine (CID 146303111) is (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@H]1CCN(C(C)CCC(C)OC(C)(C)C2CN(C(C)C)C2)C1.
What is the InChIKey of (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is DQNTWOSXQAVJJZ-CBNMVNINSA-N. The full InChI is InChI=1S/C23H46N2O2/c1-17(2)25-14-22(15-25)23(7,8)27-20(6)10-9-19(5)24-12-11-21(13-24)16-26-18(3)4/h17-22H,9-16H2,1-8H3/t19?,20?,21-/m0/s1.
What are the key properties of (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine?
(3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 382.63 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yloxy]hexan-2-yl]-3-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 146303111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).