4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine

C14H31NO — CID 89193456

IUPAC4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine
SMILESCCC(C)OC(CC(C)C)CC(C)(C)NC
InChIInChI=1S/C14H31NO/c1-8-12(4)16-13(9-11(2)3)10-14(5,6)15-7/h11-13,15H,8-10H2,1-7H3
InChIKeyRHFLWQHMQJQXQT-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.60
Rot. Bonds8

About 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine

4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine (PubChem CID 89193456) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine
PubChem CID89193456
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine
SMILESCCC(C)OC(CC(C)C)CC(C)(C)NC
InChIInChI=1S/C14H31NO/c1-8-12(4)16-13(9-11(2)3)10-14(5,6)15-7/h11-13,15H,8-10H2,1-7H3
InChIKeyRHFLWQHMQJQXQT-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine?
The IUPAC name of 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine (CID 89193456) is 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine.
What is the SMILES notation for 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine?
The canonical SMILES for 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine is CCC(C)OC(CC(C)C)CC(C)(C)NC.
What is the InChIKey of 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine?
The InChIKey is RHFLWQHMQJQXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-12(4)16-13(9-11(2)3)10-14(5,6)15-7/h11-13,15H,8-10H2,1-7H3.
What are the key properties of 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine?
4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N,2,6-trimethylheptan-2-amine is sourced from PubChem (CID 89193456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).