2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol

C13H29N3O — CID 79317268

IUPAC2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
SMILESCCNC(C)(CO)CN(C)CC1CCCN1C
InChIInChI=1S/C13H29N3O/c1-5-14-13(2,11-17)10-15(3)9-12-7-6-8-16(12)4/h12,14,17H,5-11H2,1-4H3
InChIKeyQXFIPTQJQHUMKR-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds7

About 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol (PubChem CID 79317268) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
PubChem CID79317268
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
SMILESCCNC(C)(CO)CN(C)CC1CCCN1C
InChIInChI=1S/C13H29N3O/c1-5-14-13(2,11-17)10-15(3)9-12-7-6-8-16(12)4/h12,14,17H,5-11H2,1-4H3
InChIKeyQXFIPTQJQHUMKR-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 79317831
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 79315856
2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
CID 79309260
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 79313405
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol (CID 79317268) is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol is CCNC(C)(CO)CN(C)CC1CCCN1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
The InChIKey is QXFIPTQJQHUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-14-13(2,11-17)10-15(3)9-12-7-6-8-16(12)4/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol?
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 79317268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).