2-methyldec-8-yn-3-amine

C11H21N — CID 104811927

IUPAC2-methyldec-8-yn-3-amine
SMILESCC#CCCCCC(N)C(C)C
InChIInChI=1S/C11H21N/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,6-9,12H2,1-3H3
InChIKeyGBJWOZFIVFKCEY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds5

About 2-methyldec-8-yn-3-amine

2-methyldec-8-yn-3-amine (PubChem CID 104811927) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyldec-8-yn-3-amine.

Molecular Properties

Compound Name2-methyldec-8-yn-3-amine
PubChem CID104811927
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyldec-8-yn-3-amine
SMILESCC#CCCCCC(N)C(C)C
InChIInChI=1S/C11H21N/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,6-9,12H2,1-3H3
InChIKeyGBJWOZFIVFKCEY-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 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 ≤ 52.55
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

2,9-dimethyldecane-3,8-diamine
CID 87559181
17-methyloctadec-2-yne
CID 123546762
1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
CID 104809119
1-cyclopropyloct-6-yn-1-amine
CID 104811930
16-methyloctadec-2-yne
CID 166512411
undeca-2,9-diyne
CID 13351096
(3R)-2-methylundecan-3-amine
CID 167260316
non-7-yn-3-amine
CID 64503451
7-methylnon-2-yne
CID 54177152
3-ethoxy-2-methylnon-7-yn-4-amine
CID 116720742
14-ethyloctacos-2-yne
CID 22224296
7-bromo-8,8-dimethylnon-2-yne
CID 64506983

Frequently Asked Questions

What is the IUPAC name of 2-methyldec-8-yn-3-amine?
The IUPAC name of 2-methyldec-8-yn-3-amine (CID 104811927) is 2-methyldec-8-yn-3-amine.
What is the SMILES notation for 2-methyldec-8-yn-3-amine?
The canonical SMILES for 2-methyldec-8-yn-3-amine is CC#CCCCCC(N)C(C)C.
What is the InChIKey of 2-methyldec-8-yn-3-amine?
The InChIKey is GBJWOZFIVFKCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-5-6-7-8-9-11(12)10(2)3/h10-11H,6-9,12H2,1-3H3.
What are the key properties of 2-methyldec-8-yn-3-amine?
2-methyldec-8-yn-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldec-8-yn-3-amine is sourced from PubChem (CID 104811927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).