1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C13H21BrN2O — CID 79070216

IUPAC1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(c1occc1Br)C1(N(C)C)CCCC1
InChIInChI=1S/C13H21BrN2O/c1-15-12(11-10(14)6-9-17-11)13(16(2)3)7-4-5-8-13/h6,9,12,15H,4-5,7-8H2,1-3H3
InChIKeyFFXBVDAOODZFCZ-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.18
Rot. Bonds4

About 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79070216) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79070216
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(c1occc1Br)C1(N(C)C)CCCC1
InChIInChI=1S/C13H21BrN2O/c1-15-12(11-10(14)6-9-17-11)13(16(2)3)7-4-5-8-13/h6,9,12,15H,4-5,7-8H2,1-3H3
InChIKeyFFXBVDAOODZFCZ-UHFFFAOYSA-N
XLogP3.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065998
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830126
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine
CID 63943240
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
[1-[1-(3-bromofuran-2-yl)ethylamino]cyclobutyl]methanol
CID 115927959
(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol
CID 130506442
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
CID 115861563

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 79070216) is 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CNC(c1occc1Br)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is FFXBVDAOODZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-15-12(11-10(14)6-9-17-11)13(16(2)3)7-4-5-8-13/h6,9,12,15H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 301.23 g/mol, XLogP of 3.18, 4 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)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79070216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).