5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol

C18H40N2O — CID 107871606

IUPAC5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(CCC(C)C)CCC(C)C)NC
InChIInChI=1S/C18H40N2O/c1-7-18(15-21,19-6)11-8-12-20(13-9-16(2)3)14-10-17(4)5/h16-17,19,21H,7-15H2,1-6H3
InChIKeyJZUUQAKFCPYHNQ-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.52
Rot. Bonds13

About 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol

5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol (PubChem CID 107871606) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
PubChem CID107871606
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(CCC(C)C)CCC(C)C)NC
InChIInChI=1S/C18H40N2O/c1-7-18(15-21,19-6)11-8-12-20(13-9-16(2)3)14-10-17(4)5/h16-17,19,21H,7-15H2,1-6H3
InChIKeyJZUUQAKFCPYHNQ-UHFFFAOYSA-N
XLogP3.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[2-methoxyethyl(3-methoxypropyl)amino]-2-(methylamino)pentan-1-ol
CID 106809480
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809363
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-ethyl-2-(methylamino)-5-propan-2-ylsulfanylpentan-1-ol
CID 106810989
3-[3-hydroxypropyl(3-methylbutyl)amino]propan-1-ol
CID 139910076
4-ethyl-N,7-dimethyloctan-4-amine
CID 167249904
2-ethyl-2-(methylamino)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentan-1-ol
CID 106808784
2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764831
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809636
2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218

Frequently Asked Questions

What is the IUPAC name of 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol (CID 107871606) is 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol is CCC(CO)(CCCN(CCC(C)C)CCC(C)C)NC.
What is the InChIKey of 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol?
The InChIKey is JZUUQAKFCPYHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-7-18(15-21,19-6)11-8-12-20(13-9-16(2)3)14-10-17(4)5/h16-17,19,21H,7-15H2,1-6H3.
What are the key properties of 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol?
5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol has a molecular weight of 300.53 g/mol, XLogP of 3.52, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 107871606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).