1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine

C13H21BrN2O — CID 106885648

IUPAC1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)c1occc1Br
InChIInChI=1S/C13H21BrN2O/c1-2-3-7-16(10-4-5-10)12(9-15)13-11(14)6-8-17-13/h6,8,10,12H,2-5,7,9,15H2,1H3
InChIKeyRYFLTEXWKWLIPG-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.31
Rot. Bonds7

About 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine

1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine (PubChem CID 106885648) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
PubChem CID106885648
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)c1occc1Br
InChIInChI=1S/C13H21BrN2O/c1-2-3-7-16(10-4-5-10)12(9-15)13-11(14)6-8-17-13/h6,8,10,12H,2-5,7,9,15H2,1H3
InChIKeyRYFLTEXWKWLIPG-UHFFFAOYSA-N
XLogP3.31
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
CID 63208501
1-(4-bromo-5-methylthiophen-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 102838731
N-butyl-N-cyclopropyl-1-[4-(dimethylamino)phenyl]ethane-1,2-diamine
CID 61441069
1-(3-bromofuran-2-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 106885592
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 61440583
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 106885640
2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
CID 61440730
1-(3-bromofuran-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106885671
N-butyl-1-(3-chloro-5-fluorophenyl)-N-cyclopropylethane-1,2-diamine
CID 114453317
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
2-N-butyl-2-N-cyclopropyl-4-methylpentane-1,2-diamine
CID 61441066
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
CID 43270201

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine (CID 106885648) is 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine is CCCCN(C1CC1)C(CN)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine?
The InChIKey is RYFLTEXWKWLIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-2-3-7-16(10-4-5-10)12(9-15)13-11(14)6-8-17-13/h6,8,10,12H,2-5,7,9,15H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine?
1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine has a molecular weight of 301.23 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 106885648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).