3-ethyl-N-propyloct-6-yn-4-amine

C13H25N — CID 115819984

IUPAC3-ethyl-N-propyloct-6-yn-4-amine
SMILESCC#CCC(NCCC)C(CC)CC
InChIInChI=1S/C13H25N/c1-5-9-10-13(14-11-6-2)12(7-3)8-4/h12-14H,6-8,10-11H2,1-4H3
InChIKeyQANXCJZLMDKXMA-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds7

About 3-ethyl-N-propyloct-6-yn-4-amine

3-ethyl-N-propyloct-6-yn-4-amine (PubChem CID 115819984) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-ethyl-N-propyloct-6-yn-4-amine.

Molecular Properties

Compound Name3-ethyl-N-propyloct-6-yn-4-amine
PubChem CID115819984
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-ethyl-N-propyloct-6-yn-4-amine
SMILESCC#CCC(NCCC)C(CC)CC
InChIInChI=1S/C13H25N/c1-5-9-10-13(14-11-6-2)12(7-3)8-4/h12-14H,6-8,10-11H2,1-4H3
InChIKeyQANXCJZLMDKXMA-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
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

2-methyl-N-propylhept-5-yn-3-amine
CID 62312371
6-methyl-N-propylnon-2-yn-5-amine
CID 115819999
1-(2-methylcyclopropyl)-N-propylpent-3-yn-1-amine
CID 65419772
1,1,1-trifluoro-N-propylhex-4-yn-2-amine
CID 115819818
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
1-cyclohexyl-3-ethyl-N-propylpentan-2-amine
CID 115842226
3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758
5-ethyl-6-methylhept-2-yne
CID 22224299
5-ethyl-2-methyl-N-propylhept-1-en-4-amine
CID 105004318
N,3-diethylnon-7-yn-4-amine
CID 105037214
3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 105013715
1,1,1-trifluoro-N-propyloct-6-yn-4-amine
CID 79964063

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyloct-6-yn-4-amine?
The IUPAC name of 3-ethyl-N-propyloct-6-yn-4-amine (CID 115819984) is 3-ethyl-N-propyloct-6-yn-4-amine.
What is the SMILES notation for 3-ethyl-N-propyloct-6-yn-4-amine?
The canonical SMILES for 3-ethyl-N-propyloct-6-yn-4-amine is CC#CCC(NCCC)C(CC)CC.
What is the InChIKey of 3-ethyl-N-propyloct-6-yn-4-amine?
The InChIKey is QANXCJZLMDKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-9-10-13(14-11-6-2)12(7-3)8-4/h12-14H,6-8,10-11H2,1-4H3.
What are the key properties of 3-ethyl-N-propyloct-6-yn-4-amine?
3-ethyl-N-propyloct-6-yn-4-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyloct-6-yn-4-amine is sourced from PubChem (CID 115819984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).