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

C14H22N2O2 — CID 55003773

IUPAC1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
SMILESOC(CNC1CC1)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22N2O2/c17-13(8-15-11-3-4-11)9-16(12-5-6-12)10-14-2-1-7-18-14/h1-2,7,11-13,15,17H,3-6,8-10H2
InChIKeyKLBGEPXFJXWXIJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.36
Rot. Bonds8

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

1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol (PubChem CID 55003773) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
PubChem CID55003773
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
SMILESOC(CNC1CC1)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22N2O2/c17-13(8-15-11-3-4-11)9-16(12-5-6-12)10-14-2-1-7-18-14/h1-2,7,11-13,15,17H,3-6,8-10H2
InChIKeyKLBGEPXFJXWXIJ-UHFFFAOYSA-N
XLogP1.36
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62420056
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol
CID 62266490
1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633413
N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 65015644
1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine
CID 83054358
(2S)-1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163974
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol (CID 55003773) is 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol is OC(CNC1CC1)CN(Cc1ccco1)C1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is KLBGEPXFJXWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13(8-15-11-3-4-11)9-16(12-5-6-12)10-14-2-1-7-18-14/h1-2,7,11-13,15,17H,3-6,8-10H2.
What are the key properties of 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol?
1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 55003773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).