N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine

C13H23NO — CID 104807451

IUPACN-methyl-1-(oxan-2-yl)hept-5-yn-2-amine
SMILESCC#CCCC(CC1CCCCO1)NC
InChIInChI=1S/C13H23NO/c1-3-4-5-8-12(14-2)11-13-9-6-7-10-15-13/h12-14H,5-11H2,1-2H3
InChIKeyDXRSQJMNWJKGFS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine

N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine (PubChem CID 104807451) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)hept-5-yn-2-amine
PubChem CID104807451
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-methyl-1-(oxan-2-yl)hept-5-yn-2-amine
SMILESCC#CCCC(CC1CCCCO1)NC
InChIInChI=1S/C13H23NO/c1-3-4-5-8-12(14-2)11-13-9-6-7-10-15-13/h12-14H,5-11H2,1-2H3
InChIKeyDXRSQJMNWJKGFS-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(oxan-2-yl)hept-5-yn-2-amine
CID 104807453
N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine
CID 63657522
1-cyclopentyl-N-methyl-3-(oxolan-2-yl)propan-2-amine
CID 62602079
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
1-(oxolan-2-yl)-N-propylhex-4-yn-2-amine
CID 62312178
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
(2R)-2-(2-methylpropyl)oxane
CID 58653197
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine?
The IUPAC name of N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine (CID 104807451) is N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine is CC#CCCC(CC1CCCCO1)NC.
What is the InChIKey of N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine?
The InChIKey is DXRSQJMNWJKGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-8-12(14-2)11-13-9-6-7-10-15-13/h12-14H,5-11H2,1-2H3.
What are the key properties of N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine?
N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-2-yl)hept-5-yn-2-amine is sourced from PubChem (CID 104807451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).