1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol

C12H26N2O — CID 62941547

IUPAC1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol
SMILESCC(C)NCC(C)(C)CN1CCC(O)C1
InChIInChI=1S/C12H26N2O/c1-10(2)13-8-12(3,4)9-14-6-5-11(15)7-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyRLNFXDRKHBGBIP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol

1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol (PubChem CID 62941547) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol
PubChem CID62941547
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol
SMILESCC(C)NCC(C)(C)CN1CCC(O)C1
InChIInChI=1S/C12H26N2O/c1-10(2)13-8-12(3,4)9-14-6-5-11(15)7-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyRLNFXDRKHBGBIP-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol (CID 62941547) is 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol is CC(C)NCC(C)(C)CN1CCC(O)C1.
What is the InChIKey of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol?
The InChIKey is RLNFXDRKHBGBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)13-8-12(3,4)9-14-6-5-11(15)7-14/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol?
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).