N-ethyl-3-methyloct-6-yn-2-amine

C11H21N — CID 104811014

IUPACN-ethyl-3-methyloct-6-yn-2-amine
SMILESCC#CCCC(C)C(C)NCC
InChIInChI=1S/C11H21N/c1-5-7-8-9-10(3)11(4)12-6-2/h10-12H,6,8-9H2,1-4H3
InChIKeyFAWQLSMIYFCJOE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-3-methyloct-6-yn-2-amine

N-ethyl-3-methyloct-6-yn-2-amine (PubChem CID 104811014) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-ethyl-3-methyloct-6-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyloct-6-yn-2-amine
PubChem CID104811014
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-ethyl-3-methyloct-6-yn-2-amine
SMILESCC#CCCC(C)C(C)NCC
InChIInChI=1S/C11H21N/c1-5-7-8-9-10(3)11(4)12-6-2/h10-12H,6,8-9H2,1-4H3
InChIKeyFAWQLSMIYFCJOE-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
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

6,7-dimethylnon-2-yne
CID 123813434
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
N-ethyl-2,3-dimethylnon-7-yn-4-amine
CID 105037627
N,3-diethylnon-7-yn-4-amine
CID 105037214
3-methyloct-6-yn-2-ol
CID 104810026
N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine
CID 104806072
2,3-dimethyloct-6-yn-1-amine
CID 104813748
N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
1-cyclobutyl-N-ethylhex-4-yn-1-amine
CID 104805822
N-ethyl-1-propoxyoct-6-yn-3-amine
CID 105181429
3-ethoxy-N,3-diethylnon-7-yn-4-amine
CID 116760060
N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine
CID 103029348

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyloct-6-yn-2-amine?
The IUPAC name of N-ethyl-3-methyloct-6-yn-2-amine (CID 104811014) is N-ethyl-3-methyloct-6-yn-2-amine.
What is the SMILES notation for N-ethyl-3-methyloct-6-yn-2-amine?
The canonical SMILES for N-ethyl-3-methyloct-6-yn-2-amine is CC#CCCC(C)C(C)NCC.
What is the InChIKey of N-ethyl-3-methyloct-6-yn-2-amine?
The InChIKey is FAWQLSMIYFCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-9-10(3)11(4)12-6-2/h10-12H,6,8-9H2,1-4H3.
What are the key properties of N-ethyl-3-methyloct-6-yn-2-amine?
N-ethyl-3-methyloct-6-yn-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyloct-6-yn-2-amine is sourced from PubChem (CID 104811014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).