(3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol

C11H24N2O — CID 167119947

IUPAC(3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol
SMILESCC(C)NC[C@H]1CN(C(C)C)C[C@H]1O
InChIInChI=1S/C11H24N2O/c1-8(2)12-5-10-6-13(9(3)4)7-11(10)14/h8-12,14H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKeyYABYNNWEXMLTQT-WDEREUQCSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds4

About (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol

(3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol (PubChem CID 167119947) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol
PubChem CID167119947
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol
SMILESCC(C)NC[C@H]1CN(C(C)C)C[C@H]1O
InChIInChI=1S/C11H24N2O/c1-8(2)12-5-10-6-13(9(3)4)7-11(10)14/h8-12,14H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKeyYABYNNWEXMLTQT-WDEREUQCSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol (CID 167119947) is (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol is CC(C)NC[C@H]1CN(C(C)C)C[C@H]1O.
What is the InChIKey of (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
The InChIKey is YABYNNWEXMLTQT-WDEREUQCSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)12-5-10-6-13(9(3)4)7-11(10)14/h8-12,14H,5-7H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
(3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 167119947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).