N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine

C12H20N2O — CID 117246184

IUPACN'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine
SMILESNCC(CNC1CCC1)Cc1ccco1
InChIInChI=1S/C12H20N2O/c13-8-10(7-12-5-2-6-15-12)9-14-11-3-1-4-11/h2,5-6,10-11,14H,1,3-4,7-9,13H2
InChIKeyCPSOBPGUHCDZJL-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.54
Rot. Bonds6

About N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine

N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 117246184) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID117246184
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine
SMILESNCC(CNC1CCC1)Cc1ccco1
InChIInChI=1S/C12H20N2O/c13-8-10(7-12-5-2-6-15-12)9-14-11-3-1-4-11/h2,5-6,10-11,14H,1,3-4,7-9,13H2
InChIKeyCPSOBPGUHCDZJL-UHFFFAOYSA-N
XLogP1.54
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopentyl-3-(furan-2-yl)propane-1,2-diamine
CID 117246076
N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
CID 62998866
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
N-[2-(furan-2-ylmethoxy)propyl]cyclopropanamine
CID 62444662
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine (CID 117246184) is N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine is NCC(CNC1CCC1)Cc1ccco1.
What is the InChIKey of N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is CPSOBPGUHCDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-8-10(7-12-5-2-6-15-12)9-14-11-3-1-4-11/h2,5-6,10-11,14H,1,3-4,7-9,13H2.
What are the key properties of N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine?
N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-2-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 117246184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).