1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol

C14H30N2O2 — CID 106674168

IUPAC1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol
SMILESCCC(C)(CNCC(C)C)CN1CC(O)C(O)C1
InChIInChI=1S/C14H30N2O2/c1-5-14(4,9-15-6-11(2)3)10-16-7-12(17)13(18)8-16/h11-13,15,17-18H,5-10H2,1-4H3
InChIKeyIKTCDIPFBKEKBC-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.69
Rot. Bonds7

About 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol

1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol (PubChem CID 106674168) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol
PubChem CID106674168
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol
SMILESCCC(C)(CNCC(C)C)CN1CC(O)C(O)C1
InChIInChI=1S/C14H30N2O2/c1-5-14(4,9-15-6-11(2)3)10-16-7-12(17)13(18)8-16/h11-13,15,17-18H,5-10H2,1-4H3
InChIKeyIKTCDIPFBKEKBC-UHFFFAOYSA-N
XLogP0.69
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63620912
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510
2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104960621
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63024438
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107395093
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-4-ol
CID 62263890
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 55051900
2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 103539012
3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
CID 114681883

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol (CID 106674168) is 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol is CCC(C)(CNCC(C)C)CN1CC(O)C(O)C1.
What is the InChIKey of 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol?
The InChIKey is IKTCDIPFBKEKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-14(4,9-15-6-11(2)3)10-16-7-12(17)13(18)8-16/h11-13,15,17-18H,5-10H2,1-4H3.
What are the key properties of 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol?
1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol has a molecular weight of 258.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).