N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine

C14H25NO — CID 105034116

IUPACN-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
SMILESC#CCCCC(CCC1CCCCO1)NC
InChIInChI=1S/C14H25NO/c1-3-4-5-8-13(15-2)10-11-14-9-6-7-12-16-14/h1,13-15H,4-12H2,2H3
InChIKeyWAXDEROIBSZYPR-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine

N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine (PubChem CID 105034116) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
PubChem CID105034116
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
SMILESC#CCCCC(CCC1CCCCO1)NC
InChIInChI=1S/C14H25NO/c1-3-4-5-8-13(15-2)10-11-14-9-6-7-12-16-14/h1,13-15H,4-12H2,2H3
InChIKeyWAXDEROIBSZYPR-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(oxan-2-yl)oct-7-yn-3-ylhydrazine
CID 105333319
1-(oxan-2-yl)oct-7-yn-3-ol
CID 115831796
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
N-methyl-1-(oxolan-2-yl)hex-5-yn-2-amine
CID 63657522
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
1-cyclopentyl-N-methylhept-6-yn-3-amine
CID 115859347
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine?
The IUPAC name of N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine (CID 105034116) is N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine is C#CCCCC(CCC1CCCCO1)NC.
What is the InChIKey of N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine?
The InChIKey is WAXDEROIBSZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-8-13(15-2)10-11-14-9-6-7-12-16-14/h1,13-15H,4-12H2,2H3.
What are the key properties of N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine?
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.73, 7 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)oct-7-yn-3-amine is sourced from PubChem (CID 105034116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).