4-methoxy-N-pentylpentan-1-amine

C11H25NO — CID 70456658

IUPAC4-methoxy-N-pentylpentan-1-amine
SMILESCCCCCNCCCC(C)OC
InChIInChI=1S/C11H25NO/c1-4-5-6-9-12-10-7-8-11(2)13-3/h11-12H,4-10H2,1-3H3
InChIKeyMGVYWUVTDDZPGV-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds9

About 4-methoxy-N-pentylpentan-1-amine

4-methoxy-N-pentylpentan-1-amine (PubChem CID 70456658) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-methoxy-N-pentylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-pentylpentan-1-amine
PubChem CID70456658
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-methoxy-N-pentylpentan-1-amine
SMILESCCCCCNCCCC(C)OC
InChIInChI=1S/C11H25NO/c1-4-5-6-9-12-10-7-8-11(2)13-3/h11-12H,4-10H2,1-3H3
InChIKeyMGVYWUVTDDZPGV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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

ethane;2-methoxyhexane
CID 91199174
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
N-(4-chloropentyl)nonan-1-amine
CID 106121562
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-pentylpentan-1-amine;hydrochloride
CID 520044
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pentylpentan-1-amine?
The IUPAC name of 4-methoxy-N-pentylpentan-1-amine (CID 70456658) is 4-methoxy-N-pentylpentan-1-amine.
What is the SMILES notation for 4-methoxy-N-pentylpentan-1-amine?
The canonical SMILES for 4-methoxy-N-pentylpentan-1-amine is CCCCCNCCCC(C)OC.
What is the InChIKey of 4-methoxy-N-pentylpentan-1-amine?
The InChIKey is MGVYWUVTDDZPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-5-6-9-12-10-7-8-11(2)13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-N-pentylpentan-1-amine?
4-methoxy-N-pentylpentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pentylpentan-1-amine is sourced from PubChem (CID 70456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).