N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine

C12H23NO — CID 105179503

IUPACN-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
SMILESC#CCCCC(COC(C)(C)C)NC
InChIInChI=1S/C12H23NO/c1-6-7-8-9-11(13-5)10-14-12(2,3)4/h1,11,13H,7-10H2,2-5H3
InChIKeyFVEQMGOXTQBWKE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine

N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine (PubChem CID 105179503) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
PubChem CID105179503
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine
SMILESC#CCCCC(COC(C)(C)C)NC
InChIInChI=1S/C12H23NO/c1-6-7-8-9-11(13-5)10-14-12(2,3)4/h1,11,13H,7-10H2,2-5H3
InChIKeyFVEQMGOXTQBWKE-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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

(2R)-2-[(tert-Butoxy)methyl]piperidine
CID 10654754
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
CID 103216175
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
CID 103216179
N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
CID 103216181
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine
CID 103475601
6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
CID 105174278
(2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 10559102
2-(Tert-butoxymethyl)piperidine
CID 49759992
N-methyl-1-propan-2-yloxyhexan-2-amine
CID 79570657
(2R,3S,6R)-6-ethynyl-N,2-dimethyloxan-3-amine
CID 129044509
(4S)-2,2-dimethyl-4-pent-4-ynyl-1,3-oxazolidine
CID 145480676
6-[2-(methylamino)pent-4-ynoxy]-N-phosphanylhexan-1-amine
CID 156882622

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine?
The IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine (CID 105179503) is N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine is C#CCCCC(COC(C)(C)C)NC.
What is the InChIKey of N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine?
The InChIKey is FVEQMGOXTQBWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-8-9-11(13-5)10-14-12(2,3)4/h1,11,13H,7-10H2,2-5H3.
What are the key properties of N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine?
N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylpropan-2-yl)oxy]hept-6-yn-2-amine is sourced from PubChem (CID 105179503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).