4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

C16H35N3O — CID 79317752

IUPAC4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCN1CCCC1CN(C)CCC(C)(CO)NC(C)C
InChIInChI=1S/C16H35N3O/c1-6-19-10-7-8-15(19)12-18(5)11-9-16(4,13-20)17-14(2)3/h14-15,17,20H,6-13H2,1-5H3
InChIKeyPGMSAAZUEIXENH-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.54
Rot. Bonds9

About 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 79317752) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID79317752
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCN1CCCC1CN(C)CCC(C)(CO)NC(C)C
InChIInChI=1S/C16H35N3O/c1-6-19-10-7-8-15(19)12-18(5)11-9-16(4,13-20)17-14(2)3/h14-15,17,20H,6-13H2,1-5H3
InChIKeyPGMSAAZUEIXENH-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol with MolForge

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Related Compounds

2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788594
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 79317752) is 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is CCN1CCCC1CN(C)CCC(C)(CO)NC(C)C.
What is the InChIKey of 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is PGMSAAZUEIXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-19-10-7-8-15(19)12-18(5)11-9-16(4,13-20)17-14(2)3/h14-15,17,20H,6-13H2,1-5H3.
What are the key properties of 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 285.48 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 79317752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).