N-methyldec-8-yn-1-amine

C11H21N — CID 170134764

IUPACN-methyldec-8-yn-1-amine
SMILESCC#CCCCCCCCNC
InChIInChI=1S/C11H21N/c1-3-4-5-6-7-8-9-10-11-12-2/h12H,5-11H2,1-2H3
InChIKeyIZBKCLCKPGIIBO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds7

About N-methyldec-8-yn-1-amine

N-methyldec-8-yn-1-amine (PubChem CID 170134764) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyldec-8-yn-1-amine.

Molecular Properties

Compound NameN-methyldec-8-yn-1-amine
PubChem CID170134764
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyldec-8-yn-1-amine
SMILESCC#CCCCCCCCNC
InChIInChI=1S/C11H21N/c1-3-4-5-6-7-8-9-10-11-12-2/h12H,5-11H2,1-2H3
InChIKeyIZBKCLCKPGIIBO-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of N-methyldec-8-yn-1-amine?
The IUPAC name of N-methyldec-8-yn-1-amine (CID 170134764) is N-methyldec-8-yn-1-amine.
What is the SMILES notation for N-methyldec-8-yn-1-amine?
The canonical SMILES for N-methyldec-8-yn-1-amine is CC#CCCCCCCCNC.
What is the InChIKey of N-methyldec-8-yn-1-amine?
The InChIKey is IZBKCLCKPGIIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-5-6-7-8-9-10-11-12-2/h12H,5-11H2,1-2H3.
What are the key properties of N-methyldec-8-yn-1-amine?
N-methyldec-8-yn-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldec-8-yn-1-amine is sourced from PubChem (CID 170134764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).