N-ethyl-1-propoxyoct-6-yn-3-amine

C13H25NO — CID 105181429

IUPACN-ethyl-1-propoxyoct-6-yn-3-amine
SMILESCC#CCCC(CCOCCC)NCC
InChIInChI=1S/C13H25NO/c1-4-7-8-9-13(14-6-3)10-12-15-11-5-2/h13-14H,5-6,8-12H2,1-3H3
InChIKeyQVUMSAFFHRVEBK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds9

About N-ethyl-1-propoxyoct-6-yn-3-amine

N-ethyl-1-propoxyoct-6-yn-3-amine (PubChem CID 105181429) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-1-propoxyoct-6-yn-3-amine.

Molecular Properties

Compound NameN-ethyl-1-propoxyoct-6-yn-3-amine
PubChem CID105181429
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-1-propoxyoct-6-yn-3-amine
SMILESCC#CCCC(CCOCCC)NCC
InChIInChI=1S/C13H25NO/c1-4-7-8-9-13(14-6-3)10-12-15-11-5-2/h13-14H,5-6,8-12H2,1-3H3
InChIKeyQVUMSAFFHRVEBK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-1-propoxyhexan-3-amine
CID 105080266
N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
CID 105140017
N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine
CID 103029348
1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine
CID 103149544
N-ethyl-1-pyridin-4-yloct-6-yn-3-amine
CID 105181542
N-propyldodec-2-yn-6-amine
CID 105037370
N-propylheptadec-2-yn-6-amine
CID 105037149
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
CID 104807453
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propoxyoct-6-yn-3-amine?
The IUPAC name of N-ethyl-1-propoxyoct-6-yn-3-amine (CID 105181429) is N-ethyl-1-propoxyoct-6-yn-3-amine.
What is the SMILES notation for N-ethyl-1-propoxyoct-6-yn-3-amine?
The canonical SMILES for N-ethyl-1-propoxyoct-6-yn-3-amine is CC#CCCC(CCOCCC)NCC.
What is the InChIKey of N-ethyl-1-propoxyoct-6-yn-3-amine?
The InChIKey is QVUMSAFFHRVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-8-9-13(14-6-3)10-12-15-11-5-2/h13-14H,5-6,8-12H2,1-3H3.
What are the key properties of N-ethyl-1-propoxyoct-6-yn-3-amine?
N-ethyl-1-propoxyoct-6-yn-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propoxyoct-6-yn-3-amine is sourced from PubChem (CID 105181429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).