5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine

C16H33NO — CID 166905125

IUPAC5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine
SMILESC=C(CCC(C)(C)OCCC(C)(C)C)NCCC
InChIInChI=1S/C16H33NO/c1-8-12-17-14(2)9-10-16(6,7)18-13-11-15(3,4)5/h17H,2,8-13H2,1,3-7H3
InChIKeyMYQRVBGYHGZXRY-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.51
Rot. Bonds9

About 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine

5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine (PubChem CID 166905125) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine
PubChem CID166905125
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine
SMILESC=C(CCC(C)(C)OCCC(C)(C)C)NCCC
InChIInChI=1S/C16H33NO/c1-8-12-17-14(2)9-10-16(6,7)18-13-11-15(3,4)5/h17H,2,8-13H2,1,3-7H3
InChIKeyMYQRVBGYHGZXRY-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine?
The IUPAC name of 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine (CID 166905125) is 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine.
What is the SMILES notation for 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine?
The canonical SMILES for 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine is C=C(CCC(C)(C)OCCC(C)(C)C)NCCC.
What is the InChIKey of 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine?
The InChIKey is MYQRVBGYHGZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-12-17-14(2)9-10-16(6,7)18-13-11-15(3,4)5/h17H,2,8-13H2,1,3-7H3.
What are the key properties of 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine?
5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine is sourced from PubChem (CID 166905125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).