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

C16H24N2O — CID 102875058

IUPACN'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1Cc2ccccc2O1)C1CCC1
InChIInChI=1S/C16H24N2O/c17-9-4-10-18(14-6-3-7-14)12-15-11-13-5-1-2-8-16(13)19-15/h1-2,5,8,14-15H,3-4,6-7,9-12,17H2
InChIKeyFSLBLRITNYXBFF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds6

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

N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine (PubChem CID 102875058) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine
PubChem CID102875058
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1Cc2ccccc2O1)C1CCC1
InChIInChI=1S/C16H24N2O/c17-9-4-10-18(14-6-3-7-14)12-15-11-13-5-1-2-8-16(13)19-15/h1-2,5,8,14-15H,3-4,6-7,9-12,17H2
InChIKeyFSLBLRITNYXBFF-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
CID 102676518
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79117519
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfinyl)propan-1-amine
CID 81186387
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226019
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine (CID 102875058) is N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine is NCCCN(CC1Cc2ccccc2O1)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine?
The InChIKey is FSLBLRITNYXBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-9-4-10-18(14-6-3-7-14)12-15-11-13-5-1-2-8-16(13)19-15/h1-2,5,8,14-15H,3-4,6-7,9-12,17H2.
What are the key properties of N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine?
N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 102875058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).