4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine

C14H31NO — CID 123234630

IUPAC4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine
SMILESCCC(C)C(C)COC(C)(CC)CC(C)N
InChIInChI=1S/C14H31NO/c1-7-11(3)12(4)10-16-14(6,8-2)9-13(5)15/h11-13H,7-10,15H2,1-6H3
InChIKeyBBOVYINRCBQSAJ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.59
Rot. Bonds8

About 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine

4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine (PubChem CID 123234630) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine
PubChem CID123234630
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine
SMILESCCC(C)C(C)COC(C)(CC)CC(C)N
InChIInChI=1S/C14H31NO/c1-7-11(3)12(4)10-16-14(6,8-2)9-13(5)15/h11-13H,7-10,15H2,1-6H3
InChIKeyBBOVYINRCBQSAJ-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine?
The IUPAC name of 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine (CID 123234630) is 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine.
What is the SMILES notation for 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine?
The canonical SMILES for 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine is CCC(C)C(C)COC(C)(CC)CC(C)N.
What is the InChIKey of 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine?
The InChIKey is BBOVYINRCBQSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-11(3)12(4)10-16-14(6,8-2)9-13(5)15/h11-13H,7-10,15H2,1-6H3.
What are the key properties of 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine?
4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpentoxy)-4-methylhexan-2-amine is sourced from PubChem (CID 123234630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).