oct-7-yn-4-amine

C8H15N — CID 63656082

IUPACoct-7-yn-4-amine
SMILESC#CCCC(N)CCC
InChIInChI=1S/C8H15N/c1-3-5-7-8(9)6-4-2/h1,8H,4-7,9H2,2H3
InChIKeyFBYVBKHHMFWRNN-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.53
Rot. Bonds4

About oct-7-yn-4-amine

oct-7-yn-4-amine (PubChem CID 63656082) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is oct-7-yn-4-amine.

Molecular Properties

Compound Nameoct-7-yn-4-amine
PubChem CID63656082
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameoct-7-yn-4-amine
SMILESC#CCCC(N)CCC
InChIInChI=1S/C8H15N/c1-3-5-7-8(9)6-4-2/h1,8H,4-7,9H2,2H3
InChIKeyFBYVBKHHMFWRNN-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dec-9-yn-4-amine
CID 64505072
1-N,1-N-diethylhept-6-yne-1,3-diamine
CID 79087129
azane;heptan-4-amine
CID 118430725
1,1,1-trifluorooct-7-yn-4-amine
CID 79953010
1-iodohexan-3-amine
CID 126638870
(4R)-tridecan-4-amine
CID 150614684
ethane;hexan-3-amine
CID 143616305
heptane-1,4-diamine
CID 18547393
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
tetradecane-3,11-diamine
CID 170279817
decan-4-amine;hydrochloride
CID 87728109

Frequently Asked Questions

What is the IUPAC name of oct-7-yn-4-amine?
The IUPAC name of oct-7-yn-4-amine (CID 63656082) is oct-7-yn-4-amine.
What is the SMILES notation for oct-7-yn-4-amine?
The canonical SMILES for oct-7-yn-4-amine is C#CCCC(N)CCC.
What is the InChIKey of oct-7-yn-4-amine?
The InChIKey is FBYVBKHHMFWRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-7-8(9)6-4-2/h1,8H,4-7,9H2,2H3.
What are the key properties of oct-7-yn-4-amine?
oct-7-yn-4-amine has a molecular weight of 125.21 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-yn-4-amine is sourced from PubChem (CID 63656082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).