N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine

C10H15BrN2O — CID 106852032

IUPACN-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine
SMILESBrc1occc1CNCCNC1CC1
InChIInChI=1S/C10H15BrN2O/c11-10-8(3-6-14-10)7-12-4-5-13-9-1-2-9/h3,6,9,12-13H,1-2,4-5,7H2
InChIKeyNADLHFCGZPNLTC-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.88
Rot. Bonds6

About N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine

N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine (PubChem CID 106852032) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine
PubChem CID106852032
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC NameN-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine
SMILESBrc1occc1CNCCNC1CC1
InChIInChI=1S/C10H15BrN2O/c11-10-8(3-6-14-10)7-12-4-5-13-9-1-2-9/h3,6,9,12-13H,1-2,4-5,7H2
InChIKeyNADLHFCGZPNLTC-UHFFFAOYSA-N
XLogP1.88
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66324064
N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 106856519
N-[(4-chloro-2,5-difluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405315
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
N-benzyl-N'-cyclobutylethane-1,2-diamine
CID 71627766
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N-[[2-(methoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444084
N-[(2-aminophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 106703541

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine (CID 106852032) is N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine is Brc1occc1CNCCNC1CC1.
What is the InChIKey of N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine?
The InChIKey is NADLHFCGZPNLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-10-8(3-6-14-10)7-12-4-5-13-9-1-2-9/h3,6,9,12-13H,1-2,4-5,7H2.
What are the key properties of N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine?
N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine has a molecular weight of 259.15 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)methyl]-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 106852032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).