N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine

C14H24BrNO — CID 104652163

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C14H24BrNO/c1-10(2)6-5-7-11(3)16-12(4)13-8-9-14(15)17-13/h8-12,16H,5-7H2,1-4H3
InChIKeyVDSGPKZXIUZNGI-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.91
Rot. Bonds7

About N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine

N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine (PubChem CID 104652163) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
PubChem CID104652163
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C14H24BrNO/c1-10(2)6-5-7-11(3)16-12(4)13-8-9-14(15)17-13/h8-12,16H,5-7H2,1-4H3
InChIKeyVDSGPKZXIUZNGI-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]hexan-2-amine
CID 104652943
N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
CID 104652004
1-(5-bromofuran-2-yl)-N,5-dimethylhexan-1-amine
CID 105028730
[1-(5-bromofuran-2-yl)-5-methylhexyl]hydrazine
CID 105331405
N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
CID 104652938
2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 113437510
N-[1-(5-bromothiophen-2-yl)ethyl]-6-methylheptan-2-amine
CID 63421410
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
CID 104652711
N-[1-(2,4-dibromophenyl)ethyl]-6-methylheptan-2-amine
CID 60781481
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine (CID 104652163) is N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine?
The InChIKey is VDSGPKZXIUZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-10(2)6-5-7-11(3)16-12(4)13-8-9-14(15)17-13/h8-12,16H,5-7H2,1-4H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine has a molecular weight of 302.26 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine is sourced from PubChem (CID 104652163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).