3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine

C17H41NO — CID 177062263

IUPAC3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC.CC(C)CCNC(C)C.CCC(C)(C)CCO
InChIInChI=1S/C8H19N.C7H16O.C2H6/c1-7(2)5-6-9-8(3)4;1-4-7(2,3)5-6-8;1-2/h7-9H,5-6H2,1-4H3;8H,4-6H2,1-3H3;1-2H3
InChIKeyUNGWPVBNUBKZAH-UHFFFAOYSA-N
MW275.52 g/mol
LogP4.86
Rot. Bonds7

About 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine

3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 177062263) has the molecular formula C17H41NO and a molecular weight of 275.52 g/mol. Its IUPAC name is 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID177062263
Molecular FormulaC17H41NO
Molecular Weight275.52 g/mol
Exact Mass275.32
IUPAC Name3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC.CC(C)CCNC(C)C.CCC(C)(C)CCO
InChIInChI=1S/C8H19N.C7H16O.C2H6/c1-7(2)5-6-9-8(3)4;1-4-7(2,3)5-6-8;1-2/h7-9H,5-6H2,1-4H3;8H,4-6H2,1-3H3;1-2H3
InChIKeyUNGWPVBNUBKZAH-UHFFFAOYSA-N
XLogP4.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine (CID 177062263) is 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine is CC.CC(C)CCNC(C)C.CCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is UNGWPVBNUBKZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H16O.C2H6/c1-7(2)5-6-9-8(3)4;1-4-7(2,3)5-6-8;1-2/h7-9H,5-6H2,1-4H3;8H,4-6H2,1-3H3;1-2H3.
What are the key properties of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 275.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 177062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).