2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C14H25BrN2O — CID 113437510

IUPAC2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C14H25BrN2O/c1-10(2)8-12(9-17(4)5)16-11(3)13-6-7-14(15)18-13/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyQXNLGGZDSRTMFI-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.67
Rot. Bonds7

About 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 113437510) has the molecular formula C14H25BrN2O and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID113437510
Molecular FormulaC14H25BrN2O
Molecular Weight317.27 g/mol
Exact Mass316.12
IUPAC Name2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C14H25BrN2O/c1-10(2)8-12(9-17(4)5)16-11(3)13-6-7-14(15)18-13/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyQXNLGGZDSRTMFI-UHFFFAOYSA-N
XLogP3.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
CID 104652938
N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
CID 104652004
2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
CID 104652711
2-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 82963208
2-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43792404
N-[1-(5-bromofuran-2-yl)ethyl]hexan-2-amine
CID 104652943
1-N,1-N,4-trimethyl-2-N-(1-thiophen-3-ylethyl)pentane-1,2-diamine
CID 62090518
1-N-[1-(5-bromofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104652133
3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol
CID 43751770
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 113437510) is 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NC(C)c1ccc(Br)o1.
What is the InChIKey of 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is QXNLGGZDSRTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O/c1-10(2)8-12(9-17(4)5)16-11(3)13-6-7-14(15)18-13/h6-7,10-12,16H,8-9H2,1-5H3.
What are the key properties of 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 317.27 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 113437510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).