2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol

C17H37N3O — CID 64787613

IUPAC2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN(C)C1CCCN(C)C1
InChIInChI=1S/C17H37N3O/c1-15(2)18-17(3,14-21)10-6-7-12-20(5)16-9-8-11-19(4)13-16/h15-16,18,21H,6-14H2,1-5H3
InChIKeyVKIRQBHMZWTFFR-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds9

About 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol

2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64787613) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64787613
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN(C)C1CCCN(C)C1
InChIInChI=1S/C17H37N3O/c1-15(2)18-17(3,14-21)10-6-7-12-20(5)16-9-8-11-19(4)13-16/h15-16,18,21H,6-14H2,1-5H3
InChIKeyVKIRQBHMZWTFFR-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

6-[cyclopropyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64798501
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64791917
2-methyl-5-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 64798346
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673
5-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795994
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825168
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol (CID 64787613) is 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCN(C)C1CCCN(C)C1.
What is the InChIKey of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is VKIRQBHMZWTFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-15(2)18-17(3,14-21)10-6-7-12-20(5)16-9-8-11-19(4)13-16/h15-16,18,21H,6-14H2,1-5H3.
What are the key properties of 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol?
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64787613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).