N-methyl-N-prop-2-ynyloctan-2-amine

C12H23N — CID 26722

IUPACN-methyl-N-prop-2-ynyloctan-2-amine
SMILESC#CCN(C)C(C)CCCCCC
InChIInChI=1S/C12H23N/c1-5-7-8-9-10-12(3)13(4)11-6-2/h2,12H,5,7-11H2,1,3-4H3
InChIKeyZIEVEMJNFUFOKC-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds7

About N-methyl-N-prop-2-ynyloctan-2-amine

N-methyl-N-prop-2-ynyloctan-2-amine (PubChem CID 26722) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyloctan-2-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyloctan-2-amine
PubChem CID26722
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-N-prop-2-ynyloctan-2-amine
SMILESC#CCN(C)C(C)CCCCCC
InChIInChI=1S/C12H23N/c1-5-7-8-9-10-12(3)13(4)11-6-2/h2,12H,5,7-11H2,1,3-4H3
InChIKeyZIEVEMJNFUFOKC-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
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-Hexanamine, N-methyl-N-2-propynyl-, hydrochloride
CID 3072564
N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride
CID 22416628
N-methyl-N-prop-2-ynyldodecan-2-amine;hydrochloride
CID 22416629
N-(2-Decyl)-N-methylpropargylamine hydrochloride
CID 22416633
But-2-ynyl-dimethyl-octyl-ammonium
CID 16682234
Dodecyl-dimethyl-prop-2-ynyl-ammonium
CID 12005722
N-methyl-N-prop-2-ynylheptan-1-amine;hydrochloride
CID 22416641
Dodecyl-dimethyl-prop-2-ynylazanium iodide
CID 10762256
Dodecyl-methyl-bis(prop-2-ynyl)azanium bromide
CID 10808169
Dimethyl-nonyl-prop-2-ynyl-ammonium
CID 12004473
Decyl-dimethyl-prop-2-ynyl-ammonium
CID 12005717
Dimethyl(2-octyl)amine
CID 551585

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyloctan-2-amine?
The IUPAC name of N-methyl-N-prop-2-ynyloctan-2-amine (CID 26722) is N-methyl-N-prop-2-ynyloctan-2-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynyloctan-2-amine?
The canonical SMILES for N-methyl-N-prop-2-ynyloctan-2-amine is C#CCN(C)C(C)CCCCCC.
What is the InChIKey of N-methyl-N-prop-2-ynyloctan-2-amine?
The InChIKey is ZIEVEMJNFUFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-8-9-10-12(3)13(4)11-6-2/h2,12H,5,7-11H2,1,3-4H3.
What are the key properties of N-methyl-N-prop-2-ynyloctan-2-amine?
N-methyl-N-prop-2-ynyloctan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyloctan-2-amine is sourced from PubChem (CID 26722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).