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

C8H19NO — CID 28674141

IUPACN-(3-methoxypropyl)butan-1-amine
SMILESCCCCNCCCOC
InChIInChI=1S/C8H19NO/c1-3-4-6-9-7-5-8-10-2/h9H,3-8H2,1-2H3
InChIKeyZKQQDJQKPWKTHQ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.41
Rot. Bonds7

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

N-(3-methoxypropyl)butan-1-amine (PubChem CID 28674141) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)butan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)butan-1-amine
PubChem CID28674141
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-(3-methoxypropyl)butan-1-amine
SMILESCCCCNCCCOC
InChIInChI=1S/C8H19NO/c1-3-4-6-9-7-5-8-10-2/h9H,3-8H2,1-2H3
InChIKeyZKQQDJQKPWKTHQ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.41
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)butan-1-amine?
The IUPAC name of N-(3-methoxypropyl)butan-1-amine (CID 28674141) is N-(3-methoxypropyl)butan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)butan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)butan-1-amine is CCCCNCCCOC.
What is the InChIKey of N-(3-methoxypropyl)butan-1-amine?
The InChIKey is ZKQQDJQKPWKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-4-6-9-7-5-8-10-2/h9H,3-8H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)butan-1-amine?
N-(3-methoxypropyl)butan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)butan-1-amine is sourced from PubChem (CID 28674141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).