N-methyl-N-oct-7-ynyloct-7-yn-1-amine

C17H29N — CID 170134765

IUPACN-methyl-N-oct-7-ynyloct-7-yn-1-amine
SMILESC#CCCCCCCN(C)CCCCCCC#C
InChIInChI=1S/C17H29N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h1-2H,6-17H2,3H3
InChIKeyFGBZPYYPKLBSHO-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.09
Rot. Bonds12

About N-methyl-N-oct-7-ynyloct-7-yn-1-amine

N-methyl-N-oct-7-ynyloct-7-yn-1-amine (PubChem CID 170134765) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-methyl-N-oct-7-ynyloct-7-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-oct-7-ynyloct-7-yn-1-amine
PubChem CID170134765
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-methyl-N-oct-7-ynyloct-7-yn-1-amine
SMILESC#CCCCCCCN(C)CCCCCCC#C
InChIInChI=1S/C17H29N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h1-2H,6-17H2,3H3
InChIKeyFGBZPYYPKLBSHO-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.09
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-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
CID 115872924
oct-1-yne
CID 19597608
N-methyl-N-prop-2-ynylhexan-1-amine
CID 21191548
N-methyl-N-prop-2-ynylundecan-1-amine
CID 54051850
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
2-[methyl(pent-4-ynyl)amino]acetamide
CID 115872776
CID 172706336
CID 172706336
N'-but-3-ynyl-N'-methylethane-1,2-diamine
CID 62686258
N-hex-5-ynyl-N,2-dimethylpentan-2-amine
CID 167034681

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oct-7-ynyloct-7-yn-1-amine?
The IUPAC name of N-methyl-N-oct-7-ynyloct-7-yn-1-amine (CID 170134765) is N-methyl-N-oct-7-ynyloct-7-yn-1-amine.
What is the SMILES notation for N-methyl-N-oct-7-ynyloct-7-yn-1-amine?
The canonical SMILES for N-methyl-N-oct-7-ynyloct-7-yn-1-amine is C#CCCCCCCN(C)CCCCCCC#C.
What is the InChIKey of N-methyl-N-oct-7-ynyloct-7-yn-1-amine?
The InChIKey is FGBZPYYPKLBSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h1-2H,6-17H2,3H3.
What are the key properties of N-methyl-N-oct-7-ynyloct-7-yn-1-amine?
N-methyl-N-oct-7-ynyloct-7-yn-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oct-7-ynyloct-7-yn-1-amine is sourced from PubChem (CID 170134765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).