6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine

C14H30NO+ — CID 123812624

IUPAC6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine
SMILES[CH2+]CC(C)OC(C)(C)C(C)C(C)CCCN
InChIInChI=1S/C14H30NO/c1-7-12(3)16-14(5,6)13(4)11(2)9-8-10-15/h11-13H,1,7-10,15H2,2-6H3/q+1
InChIKeyJBXXDPNLJGQXAG-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.41
Rot. Bonds8

About 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine

6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine (PubChem CID 123812624) has the molecular formula C14H30NO+ and a molecular weight of 228.40 g/mol. Its IUPAC name is 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine
PubChem CID123812624
Molecular FormulaC14H30NO+
Molecular Weight228.40 g/mol
Exact Mass228.23
IUPAC Name6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine
SMILES[CH2+]CC(C)OC(C)(C)C(C)C(C)CCCN
InChIInChI=1S/C14H30NO/c1-7-12(3)16-14(5,6)13(4)11(2)9-8-10-15/h11-13H,1,7-10,15H2,2-6H3/q+1
InChIKeyJBXXDPNLJGQXAG-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine?
The IUPAC name of 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine (CID 123812624) is 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine.
What is the SMILES notation for 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine?
The canonical SMILES for 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine is [CH2+]CC(C)OC(C)(C)C(C)C(C)CCCN.
What is the InChIKey of 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine?
The InChIKey is JBXXDPNLJGQXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO/c1-7-12(3)16-14(5,6)13(4)11(2)9-8-10-15/h11-13H,1,7-10,15H2,2-6H3/q+1.
What are the key properties of 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine?
6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-4,5,6-trimethylheptan-1-amine is sourced from PubChem (CID 123812624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).