(4R)-3-methoxy-2-methylheptan-4-amine

C9H21NO — CID 104932507

IUPAC(4R)-3-methoxy-2-methylheptan-4-amine
SMILESCCC[C@@H](N)C(OC)C(C)C
InChIInChI=1S/C9H21NO/c1-5-6-8(10)9(11-4)7(2)3/h7-9H,5-6,10H2,1-4H3/t8-,9?/m1/s1
InChIKeyDIPRYVKYVMLMMX-VEDVMXKPSA-N
MW159.27 g/mol
LogP1.78
Rot. Bonds5

About (4R)-3-methoxy-2-methylheptan-4-amine

(4R)-3-methoxy-2-methylheptan-4-amine (PubChem CID 104932507) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (4R)-3-methoxy-2-methylheptan-4-amine.

Molecular Properties

Compound Name(4R)-3-methoxy-2-methylheptan-4-amine
PubChem CID104932507
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(4R)-3-methoxy-2-methylheptan-4-amine
SMILESCCC[C@@H](N)C(OC)C(C)C
InChIInChI=1S/C9H21NO/c1-5-6-8(10)9(11-4)7(2)3/h7-9H,5-6,10H2,1-4H3/t8-,9?/m1/s1
InChIKeyDIPRYVKYVMLMMX-VEDVMXKPSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methoxy-2-methylheptan-4-amine?
The IUPAC name of (4R)-3-methoxy-2-methylheptan-4-amine (CID 104932507) is (4R)-3-methoxy-2-methylheptan-4-amine.
What is the SMILES notation for (4R)-3-methoxy-2-methylheptan-4-amine?
The canonical SMILES for (4R)-3-methoxy-2-methylheptan-4-amine is CCC[C@@H](N)C(OC)C(C)C.
What is the InChIKey of (4R)-3-methoxy-2-methylheptan-4-amine?
The InChIKey is DIPRYVKYVMLMMX-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-8(10)9(11-4)7(2)3/h7-9H,5-6,10H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of (4R)-3-methoxy-2-methylheptan-4-amine?
(4R)-3-methoxy-2-methylheptan-4-amine has a molecular weight of 159.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methoxy-2-methylheptan-4-amine is sourced from PubChem (CID 104932507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).