1-methoxy-3-pentoxypropan-2-amine

C9H21NO2 — CID 107506771

IUPAC1-methoxy-3-pentoxypropan-2-amine
SMILESCCCCCOCC(N)COC
InChIInChI=1S/C9H21NO2/c1-3-4-5-6-12-8-9(10)7-11-2/h9H,3-8,10H2,1-2H3
InChIKeyUXCRFSHPAJIDBD-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds8

About 1-methoxy-3-pentoxypropan-2-amine

1-methoxy-3-pentoxypropan-2-amine (PubChem CID 107506771) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-methoxy-3-pentoxypropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-pentoxypropan-2-amine
PubChem CID107506771
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-methoxy-3-pentoxypropan-2-amine
SMILESCCCCCOCC(N)COC
InChIInChI=1S/C9H21NO2/c1-3-4-5-6-12-8-9(10)7-11-2/h9H,3-8,10H2,1-2H3
InChIKeyUXCRFSHPAJIDBD-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
1-heptoxypentan-2-amine
CID 62044754
1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine
CID 141280671
1-[(Z)-octadec-9-enoxy]-3-octoxypropan-2-amine
CID 154403709
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
2-(hexadecoxymethyl)-3-methoxypropan-1-amine
CID 14835009
3-dodecoxy-1,2-dimethoxypropan-1-amine
CID 54347264
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
3-methoxy-3-methyl-1-octoxybutan-2-amine
CID 114228666
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-pentoxypropan-2-amine?
The IUPAC name of 1-methoxy-3-pentoxypropan-2-amine (CID 107506771) is 1-methoxy-3-pentoxypropan-2-amine.
What is the SMILES notation for 1-methoxy-3-pentoxypropan-2-amine?
The canonical SMILES for 1-methoxy-3-pentoxypropan-2-amine is CCCCCOCC(N)COC.
What is the InChIKey of 1-methoxy-3-pentoxypropan-2-amine?
The InChIKey is UXCRFSHPAJIDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-4-5-6-12-8-9(10)7-11-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-methoxy-3-pentoxypropan-2-amine?
1-methoxy-3-pentoxypropan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-pentoxypropan-2-amine is sourced from PubChem (CID 107506771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).