N-(1-butoxypropoxy)butan-1-amine

C11H25NO2 — CID 173191717

IUPACN-(1-butoxypropoxy)butan-1-amine
SMILESCCCCNOC(CC)OCCCC
InChIInChI=1S/C11H25NO2/c1-4-7-9-12-14-11(6-3)13-10-8-5-2/h11-12H,4-10H2,1-3H3
InChIKeyNHFXUHTXHARZIV-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.86
Rot. Bonds10

About N-(1-butoxypropoxy)butan-1-amine

N-(1-butoxypropoxy)butan-1-amine (PubChem CID 173191717) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(1-butoxypropoxy)butan-1-amine.

Molecular Properties

Compound NameN-(1-butoxypropoxy)butan-1-amine
PubChem CID173191717
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-(1-butoxypropoxy)butan-1-amine
SMILESCCCCNOC(CC)OCCCC
InChIInChI=1S/C11H25NO2/c1-4-7-9-12-14-11(6-3)13-10-8-5-2/h11-12H,4-10H2,1-3H3
InChIKeyNHFXUHTXHARZIV-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butoxypropyl methyl carbonate
CID 87247964
1,1,4,4-tetrabutoxybutane
CID 139887225
1-(1-propoxypropoxy)hexane
CID 89482622
1-(1,3,3-triethoxypropoxy)butane
CID 139631124
1,1-dibutoxyoctane
CID 54557001
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
1-butoxypropoxy-bis(2-methylpropyl)alumane
CID 139905186
N-(butoxymethoxy)butan-1-amine
CID 173191870
bis(1-butoxypropyl) dodecanedioate
CID 87198216
1-decoxy-N-propylpropan-1-amine
CID 173331192
2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406

Frequently Asked Questions

What is the IUPAC name of N-(1-butoxypropoxy)butan-1-amine?
The IUPAC name of N-(1-butoxypropoxy)butan-1-amine (CID 173191717) is N-(1-butoxypropoxy)butan-1-amine.
What is the SMILES notation for N-(1-butoxypropoxy)butan-1-amine?
The canonical SMILES for N-(1-butoxypropoxy)butan-1-amine is CCCCNOC(CC)OCCCC.
What is the InChIKey of N-(1-butoxypropoxy)butan-1-amine?
The InChIKey is NHFXUHTXHARZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-7-9-12-14-11(6-3)13-10-8-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(1-butoxypropoxy)butan-1-amine?
N-(1-butoxypropoxy)butan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butoxypropoxy)butan-1-amine is sourced from PubChem (CID 173191717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).