2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol

C17H37N3O — CID 79312282

IUPAC2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN(C)CC1CCCN1CC
InChIInChI=1S/C17H37N3O/c1-5-18-17(3,15-21)11-7-8-12-19(4)14-16-10-9-13-20(16)6-2/h16,18,21H,5-15H2,1-4H3
InChIKeyHJRSOKOKIMQQQP-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds11

About 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol

2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol (PubChem CID 79312282) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
PubChem CID79312282
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN(C)CC1CCCN1CC
InChIInChI=1S/C17H37N3O/c1-5-18-17(3,15-21)11-7-8-12-19(4)14-16-10-9-13-20(16)6-2/h16,18,21H,5-15H2,1-4H3
InChIKeyHJRSOKOKIMQQQP-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106712168
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
2-(ethylamino)-2-methyl-6-(2-propylpiperidin-1-yl)hexan-1-ol
CID 83056941
2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788799
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol?
The IUPAC name of 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol (CID 79312282) is 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol?
The canonical SMILES for 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol is CCNC(C)(CO)CCCCN(C)CC1CCCN1CC.
What is the InChIKey of 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol?
The InChIKey is HJRSOKOKIMQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-18-17(3,15-21)11-7-8-12-19(4)14-16-10-9-13-20(16)6-2/h16,18,21H,5-15H2,1-4H3.
What are the key properties of 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol?
2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol is sourced from PubChem (CID 79312282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).