N-ethyloct-7-yn-2-amine

C10H19N — CID 64503782

IUPACN-ethyloct-7-yn-2-amine
SMILESC#CCCCCC(C)NCC
InChIInChI=1S/C10H19N/c1-4-6-7-8-9-10(3)11-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyDRRLHLUWZKKUCH-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds6

About N-ethyloct-7-yn-2-amine

N-ethyloct-7-yn-2-amine (PubChem CID 64503782) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-ethyloct-7-yn-2-amine.

Molecular Properties

Compound NameN-ethyloct-7-yn-2-amine
PubChem CID64503782
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-ethyloct-7-yn-2-amine
SMILESC#CCCCCC(C)NCC
InChIInChI=1S/C10H19N/c1-4-6-7-8-9-10(3)11-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyDRRLHLUWZKKUCH-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-ynylheptan-2-amine
CID 115724834
N-methylnon-8-yn-2-amine
CID 91435283
N-ethylpent-4-yn-2-amine
CID 62233889
N-pent-4-ynylpentan-2-amine
CID 115724855
(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride
CID 18667076
N-ethylheptadec-1-yn-6-amine
CID 105034079
12-methyltridec-1-yne
CID 10921423
N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
3-(pent-4-ynylamino)butan-1-ol
CID 115977666
non-8-yn-2-ol
CID 11275050
dodec-11-yn-2-ol
CID 14044485
N-ethylhexadec-1-yn-5-amine
CID 115859541

Frequently Asked Questions

What is the IUPAC name of N-ethyloct-7-yn-2-amine?
The IUPAC name of N-ethyloct-7-yn-2-amine (CID 64503782) is N-ethyloct-7-yn-2-amine.
What is the SMILES notation for N-ethyloct-7-yn-2-amine?
The canonical SMILES for N-ethyloct-7-yn-2-amine is C#CCCCCC(C)NCC.
What is the InChIKey of N-ethyloct-7-yn-2-amine?
The InChIKey is DRRLHLUWZKKUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-7-8-9-10(3)11-5-2/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-ethyloct-7-yn-2-amine?
N-ethyloct-7-yn-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloct-7-yn-2-amine is sourced from PubChem (CID 64503782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).