1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol

C15H25NO3 — CID 107263830

IUPAC1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
SMILESCCCCOCC(O)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C15H25NO3/c1-2-3-8-18-12-14(17)10-16(13-6-7-13)11-15-5-4-9-19-15/h4-5,9,13-14,17H,2-3,6-8,10-12H2,1H3
InChIKeyRCIWHXYTMBMMFX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.42
Rot. Bonds10

About 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol

1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol (PubChem CID 107263830) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
PubChem CID107263830
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
SMILESCCCCOCC(O)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C15H25NO3/c1-2-3-8-18-12-14(17)10-16(13-6-7-13)11-15-5-4-9-19-15/h4-5,9,13-14,17H,2-3,6-8,10-12H2,1H3
InChIKeyRCIWHXYTMBMMFX-UHFFFAOYSA-N
XLogP2.42
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163974
1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803
1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 55003773
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006888
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 24714141
(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161864
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 124765204
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
1-N-cyclopentyl-1-N-(furan-2-ylmethyl)pentane-1,2-diamine
CID 102550766
2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
CID 107263550

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol (CID 107263830) is 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol is CCCCOCC(O)CN(Cc1ccco1)C1CC1.
What is the InChIKey of 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is RCIWHXYTMBMMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-3-8-18-12-14(17)10-16(13-6-7-13)11-15-5-4-9-19-15/h4-5,9,13-14,17H,2-3,6-8,10-12H2,1H3.
What are the key properties of 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 107263830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).