1-butoxypropan-1-amine

C7H17NO — CID 22184064

IUPAC1-butoxypropan-1-amine
SMILESCCCCOC(N)CC
InChIInChI=1S/C7H17NO/c1-3-5-6-9-7(8)4-2/h7H,3-6,8H2,1-2H3
InChIKeyMGOQVHDTEWTXKE-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.50
Rot. Bonds5

About 1-butoxypropan-1-amine

1-butoxypropan-1-amine (PubChem CID 22184064) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-butoxypropan-1-amine.

Molecular Properties

Compound Name1-butoxypropan-1-amine
PubChem CID22184064
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-butoxypropan-1-amine
SMILESCCCCOC(N)CC
InChIInChI=1S/C7H17NO/c1-3-5-6-9-7(8)4-2/h7H,3-6,8H2,1-2H3
InChIKeyMGOQVHDTEWTXKE-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propanamine, 3-butoxy-
CID 85461
1-Methoxypropan-1-amine
CID 14619209
Ethanamine, 1-ethoxy-
CID 11228797
Gammabeta-aminoethyl ether
CID 17857504
1-ethoxy-N-fluoropropan-1-amine
CID 21657419
5-Ethoxy-1-azaindoline
CID 129868393
3-Butoxypropylazanium
CID 7004894
1-Ethoxyethylazanium chloride
CID 11228796
(1S)-1-methoxypropan-1-amine
CID 14619210
(1R)-1-methoxypropan-1-amine
CID 14619211
4-Propoxybutan-1-amine
CID 18672789
1-Methoxybutan-1-amine
CID 19381281

Frequently Asked Questions

What is the IUPAC name of 1-butoxypropan-1-amine?
The IUPAC name of 1-butoxypropan-1-amine (CID 22184064) is 1-butoxypropan-1-amine.
What is the SMILES notation for 1-butoxypropan-1-amine?
The canonical SMILES for 1-butoxypropan-1-amine is CCCCOC(N)CC.
What is the InChIKey of 1-butoxypropan-1-amine?
The InChIKey is MGOQVHDTEWTXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-5-6-9-7(8)4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-butoxypropan-1-amine?
1-butoxypropan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypropan-1-amine is sourced from PubChem (CID 22184064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).