2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol

C16H33N3O2 — CID 64790693

IUPAC2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H33N3O2/c1-4-17-16(3,13-20)11-14(2)19-6-5-15(12-19)18-7-9-21-10-8-18/h14-15,17,20H,4-13H2,1-3H3
InChIKeyQVCVLRORJZKIML-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.53
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol

2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol (PubChem CID 64790693) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
PubChem CID64790693
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H33N3O2/c1-4-17-16(3,13-20)11-14(2)19-6-5-15(12-19)18-7-9-21-10-8-18/h14-15,17,20H,4-13H2,1-3H3
InChIKeyQVCVLRORJZKIML-UHFFFAOYSA-N
XLogP0.53
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-1-ol
CID 64789711
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
2-(ethylamino)-4-(4-ethylazepan-1-yl)-2-methylpentan-1-ol
CID 64809388
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64790692
2-(ethylamino)-4-(3-ethylmorpholin-4-yl)-2-methylpentan-1-ol
CID 64798768
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
3-amino-4,4-dimethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357241
2-(ethylamino)-2-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 63171741

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol (CID 64790693) is 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol is CCNC(C)(CO)CC(C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
The InChIKey is QVCVLRORJZKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-17-16(3,13-20)11-14(2)19-6-5-15(12-19)18-7-9-21-10-8-18/h14-15,17,20H,4-13H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol?
2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 64790693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).