1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

C15H30N2O2 — CID 106616449

IUPAC1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C15H30N2O2/c1-12(2)19-11-15(18)10-17(8-13-5-6-13)9-14-4-3-7-16-14/h12-16,18H,3-11H2,1-2H3
InChIKeyNJHRWRNMZDQDBQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds9

About 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 106616449) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID106616449
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(CC1CC1)CC1CCCN1
InChIInChI=1S/C15H30N2O2/c1-12(2)19-11-15(18)10-17(8-13-5-6-13)9-14-4-3-7-16-14/h12-16,18H,3-11H2,1-2H3
InChIKeyNJHRWRNMZDQDBQ-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106615678
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
1-(1-methoxypropan-2-yloxy)-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106992774
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol
CID 106616406
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 106616449) is 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(CC1CC1)CC1CCCN1.
What is the InChIKey of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is NJHRWRNMZDQDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)19-11-15(18)10-17(8-13-5-6-13)9-14-4-3-7-16-14/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 106616449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).