2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol

C16H35N3O — CID 106809124

IUPAC2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(C)C1CCN(C)CC1
InChIInChI=1S/C16H35N3O/c1-5-16(14-20,17-6-2)10-7-11-19(4)15-8-12-18(3)13-9-15/h15,17,20H,5-14H2,1-4H3
InChIKeyVCMQAVQTLPGBRN-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.54
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol

2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol (PubChem CID 106809124) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
PubChem CID106809124
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(C)C1CCN(C)CC1
InChIInChI=1S/C16H35N3O/c1-5-16(14-20,17-6-2)10-7-11-19(4)15-8-12-18(3)13-9-15/h15,17,20H,5-14H2,1-4H3
InChIKeyVCMQAVQTLPGBRN-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

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Related Compounds

2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
2-ethyl-2-(methylamino)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 106808834
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808690
5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809866
2-ethyl-2-(ethylamino)-5-[methyl(3-methylbutyl)amino]pentan-1-ol
CID 106809579
5-(dibutylamino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809152
2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788799
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809327
2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808716
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809363

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol (CID 106809124) is 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol is CCNC(CC)(CO)CCCN(C)C1CCN(C)CC1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol?
The InChIKey is VCMQAVQTLPGBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-5-16(14-20,17-6-2)10-7-11-19(4)15-8-12-18(3)13-9-15/h15,17,20H,5-14H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol?
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-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 2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 106809124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).