3-butoxypentan-1-amine

C9H21NO — CID 19432126

IUPAC3-butoxypentan-1-amine
SMILESCCCCOC(CC)CCN
InChIInChI=1S/C9H21NO/c1-3-5-8-11-9(4-2)6-7-10/h9H,3-8,10H2,1-2H3
InChIKeyXWWADDGUOQXHOD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds7

About 3-butoxypentan-1-amine

3-butoxypentan-1-amine (PubChem CID 19432126) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-butoxypentan-1-amine.

Molecular Properties

Compound Name3-butoxypentan-1-amine
PubChem CID19432126
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-butoxypentan-1-amine
SMILESCCCCOC(CC)CCN
InChIInChI=1S/C9H21NO/c1-3-5-8-11-9(4-2)6-7-10/h9H,3-8,10H2,1-2H3
InChIKeyXWWADDGUOQXHOD-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
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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Related Compounds

4-(Propan-2-yloxy)butan-1-amine
CID 18672813
3-Ethoxybutan-1-amine
CID 19840840
2-Ethoxypentan-1-amine
CID 55291173
3-Ethoxy-4-methylpentan-1-amine
CID 56828152
3-Ethoxybutan-1-amine hydrochloride
CID 165688979
4-Ethoxy-3-fluoropentan-1-amine
CID 164664084
4-Methoxypentan-1-amine;hydrochloride
CID 177801044
3-Propan-2-yloxypropylazanium
CID 6992791
3-Methoxyhexane-1,6-diamine
CID 14440438
4-Methoxyhexan-1-amine
CID 14794836
5-Ethoxyhexan-1-amine
CID 14874870
4-Methoxyheptan-1-amine
CID 17952628

Frequently Asked Questions

What is the IUPAC name of 3-butoxypentan-1-amine?
The IUPAC name of 3-butoxypentan-1-amine (CID 19432126) is 3-butoxypentan-1-amine.
What is the SMILES notation for 3-butoxypentan-1-amine?
The canonical SMILES for 3-butoxypentan-1-amine is CCCCOC(CC)CCN.
What is the InChIKey of 3-butoxypentan-1-amine?
The InChIKey is XWWADDGUOQXHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-5-8-11-9(4-2)6-7-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-butoxypentan-1-amine?
3-butoxypentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypentan-1-amine is sourced from PubChem (CID 19432126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).