N-(3-methoxypropyl)nonan-1-amine

C13H29NO — CID 43153280

IUPACN-(3-methoxypropyl)nonan-1-amine
SMILESCCCCCCCCCNCCCOC
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-11-14-12-10-13-15-2/h14H,3-13H2,1-2H3
InChIKeyOJFCJHVLNIXNBN-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds12

About N-(3-methoxypropyl)nonan-1-amine

N-(3-methoxypropyl)nonan-1-amine (PubChem CID 43153280) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)nonan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)nonan-1-amine
PubChem CID43153280
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(3-methoxypropyl)nonan-1-amine
SMILESCCCCCCCCCNCCCOC
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-11-14-12-10-13-15-2/h14H,3-13H2,1-2H3
InChIKeyOJFCJHVLNIXNBN-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
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)nonan-1-amine?
The IUPAC name of N-(3-methoxypropyl)nonan-1-amine (CID 43153280) is N-(3-methoxypropyl)nonan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)nonan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)nonan-1-amine is CCCCCCCCCNCCCOC.
What is the InChIKey of N-(3-methoxypropyl)nonan-1-amine?
The InChIKey is OJFCJHVLNIXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-11-14-12-10-13-15-2/h14H,3-13H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)nonan-1-amine?
N-(3-methoxypropyl)nonan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)nonan-1-amine is sourced from PubChem (CID 43153280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).