7-methoxy-2,2-dimethylheptan-3-amine

C10H23NO — CID 60926793

IUPAC7-methoxy-2,2-dimethylheptan-3-amine
SMILESCOCCCCC(N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-10(2,3)9(11)7-5-6-8-12-4/h9H,5-8,11H2,1-4H3
InChIKeyYXBWWPBDNLPHRR-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds5

About 7-methoxy-2,2-dimethylheptan-3-amine

7-methoxy-2,2-dimethylheptan-3-amine (PubChem CID 60926793) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethylheptan-3-amine.

Molecular Properties

Compound Name7-methoxy-2,2-dimethylheptan-3-amine
PubChem CID60926793
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name7-methoxy-2,2-dimethylheptan-3-amine
SMILESCOCCCCC(N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-10(2,3)9(11)7-5-6-8-12-4/h9H,5-8,11H2,1-4H3
InChIKeyYXBWWPBDNLPHRR-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethylheptan-3-amine?
The IUPAC name of 7-methoxy-2,2-dimethylheptan-3-amine (CID 60926793) is 7-methoxy-2,2-dimethylheptan-3-amine.
What is the SMILES notation for 7-methoxy-2,2-dimethylheptan-3-amine?
The canonical SMILES for 7-methoxy-2,2-dimethylheptan-3-amine is COCCCCC(N)C(C)(C)C.
What is the InChIKey of 7-methoxy-2,2-dimethylheptan-3-amine?
The InChIKey is YXBWWPBDNLPHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-10(2,3)9(11)7-5-6-8-12-4/h9H,5-8,11H2,1-4H3.
What are the key properties of 7-methoxy-2,2-dimethylheptan-3-amine?
7-methoxy-2,2-dimethylheptan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethylheptan-3-amine is sourced from PubChem (CID 60926793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).