4-bromohept-3-en-3-amine

C7H14BrN — CID 173294864

IUPAC4-bromohept-3-en-3-amine
SMILESCCCC(Br)=C(N)CC
InChIInChI=1S/C7H14BrN/c1-3-5-6(8)7(9)4-2/h3-5,9H2,1-2H3
InChIKeyVZMAITCGCMIEEY-UHFFFAOYSA-N
MW192.10 g/mol
LogP2.76
Rot. Bonds3

About 4-bromohept-3-en-3-amine

4-bromohept-3-en-3-amine (PubChem CID 173294864) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 4-bromohept-3-en-3-amine.

Molecular Properties

Compound Name4-bromohept-3-en-3-amine
PubChem CID173294864
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name4-bromohept-3-en-3-amine
SMILESCCCC(Br)=C(N)CC
InChIInChI=1S/C7H14BrN/c1-3-5-6(8)7(9)4-2/h3-5,9H2,1-2H3
InChIKeyVZMAITCGCMIEEY-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-methylhex-3-en-3-amine
CID 129020883
5-methyloct-4-en-4-amine
CID 176900512
butanamide
CID 141414886
propyl (Z)-3-amino-2-propylpent-2-enoate
CID 140504293
butanamide;dihydrobromide
CID 140988378
CID 158833027
CID 158833027
N-methylbutanimidoyl bromide
CID 123677307
(E)-1,2-dibromopent-1-ene
CID 15353359
potassium;butanamide;hydride
CID 174374590
(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine
CID 143720548
methyl 3-amino-2-ethylhex-2-enoate
CID 174974827
[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane
CID 46237639

Frequently Asked Questions

What is the IUPAC name of 4-bromohept-3-en-3-amine?
The IUPAC name of 4-bromohept-3-en-3-amine (CID 173294864) is 4-bromohept-3-en-3-amine.
What is the SMILES notation for 4-bromohept-3-en-3-amine?
The canonical SMILES for 4-bromohept-3-en-3-amine is CCCC(Br)=C(N)CC.
What is the InChIKey of 4-bromohept-3-en-3-amine?
The InChIKey is VZMAITCGCMIEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c1-3-5-6(8)7(9)4-2/h3-5,9H2,1-2H3.
What are the key properties of 4-bromohept-3-en-3-amine?
4-bromohept-3-en-3-amine has a molecular weight of 192.10 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromohept-3-en-3-amine is sourced from PubChem (CID 173294864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).