N-(3-methoxypropyl)hexan-3-amine

C10H23NO — CID 62119681

IUPACN-(3-methoxypropyl)hexan-3-amine
SMILESCCCC(CC)NCCCOC
InChIInChI=1S/C10H23NO/c1-4-7-10(5-2)11-8-6-9-12-3/h10-11H,4-9H2,1-3H3
InChIKeyPJIXKHINWYZTJP-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds8

About N-(3-methoxypropyl)hexan-3-amine

N-(3-methoxypropyl)hexan-3-amine (PubChem CID 62119681) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)hexan-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)hexan-3-amine
PubChem CID62119681
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(3-methoxypropyl)hexan-3-amine
SMILESCCCC(CC)NCCCOC
InChIInChI=1S/C10H23NO/c1-4-7-10(5-2)11-8-6-9-12-3/h10-11H,4-9H2,1-3H3
InChIKeyPJIXKHINWYZTJP-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
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 N-(3-methoxypropyl)hexan-3-amine?
The IUPAC name of N-(3-methoxypropyl)hexan-3-amine (CID 62119681) is N-(3-methoxypropyl)hexan-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)hexan-3-amine?
The canonical SMILES for N-(3-methoxypropyl)hexan-3-amine is CCCC(CC)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)hexan-3-amine?
The InChIKey is PJIXKHINWYZTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-7-10(5-2)11-8-6-9-12-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)hexan-3-amine?
N-(3-methoxypropyl)hexan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)hexan-3-amine is sourced from PubChem (CID 62119681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).