6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol

C18H40N2O2 — CID 170022391

IUPAC6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol
SMILESCCN(CCCCO)C(C)(C)CCN(C)CCCCCCO
InChIInChI=1S/C18H40N2O2/c1-5-20(14-9-11-17-22)18(2,3)12-15-19(4)13-8-6-7-10-16-21/h21-22H,5-17H2,1-4H3
InChIKeyOILXDKULVPDBJX-UHFFFAOYSA-N
MW316.53 g/mol
LogP2.73
Rot. Bonds15

About 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol

6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol (PubChem CID 170022391) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol
PubChem CID170022391
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC Name6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol
SMILESCCN(CCCCO)C(C)(C)CCN(C)CCCCCCO
InChIInChI=1S/C18H40N2O2/c1-5-20(14-9-11-17-22)18(2,3)12-15-19(4)13-8-6-7-10-16-21/h21-22H,5-17H2,1-4H3
InChIKeyOILXDKULVPDBJX-UHFFFAOYSA-N
XLogP2.73
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 52.73
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

8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
3-[3-hydroxypropyl(2-methylundecan-2-yl)amino]propan-1-ol
CID 18184043
3-[tert-butyl(ethyl)amino]propan-1-ol
CID 138079476
5-[5-hydroxypentyl(methyl)amino]-2,2-dimethylpentanethioamide
CID 107199838
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine
CID 18696277
sodium;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;pentan-1-ol
CID 11539227

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol?
The IUPAC name of 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol (CID 170022391) is 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol.
What is the SMILES notation for 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol?
The canonical SMILES for 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol is CCN(CCCCO)C(C)(C)CCN(C)CCCCCCO.
What is the InChIKey of 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol?
The InChIKey is OILXDKULVPDBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-5-20(14-9-11-17-22)18(2,3)12-15-19(4)13-8-6-7-10-16-21/h21-22H,5-17H2,1-4H3.
What are the key properties of 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol?
6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol has a molecular weight of 316.53 g/mol, XLogP of 2.73, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[ethyl(4-hydroxybutyl)amino]-3-methylbutyl]-methylamino]hexan-1-ol is sourced from PubChem (CID 170022391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).